data_2dlg_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 2dlg _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 ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.454 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.534 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG21 ' CA ' ' A' ' 65' ' ' GLU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.476 HG12 ' CE2' ' A' ' 75' ' ' TYR . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE3' ' NE2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' N ' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.468 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' NE2' ' HE3' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' CA ' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 4.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.882 0.372 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 65' ' ' GLU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.467 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.458 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' N ' ' CG2' ' A' ' 14' ' ' THR . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 45' ' ' THR . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.43 ' N ' HG21 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' GLU . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.468 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CD2' HG22 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 10.5 mm-40 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' MET . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 49.7 m-70 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 92' ' ' LEU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 75' ' ' TYR . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 45' ' ' THR . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.489 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.3 mm-40 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.489 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.511 ' CD1' HG23 ' A' ' 28' ' ' ILE . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 32.1 m-70 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' N ' HG11 ' A' ' 15' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 15' ' ' VAL . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 14' ' ' THR . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.488 HD11 ' CD2' ' A' ' 75' ' ' TYR . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.488 ' CD2' HD11 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.539 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG21 ' C ' ' A' ' 64' ' ' GLN . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 29' ' ' ASN . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 7.6 p30 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' C ' HG21 ' A' ' 15' ' ' VAL . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.408 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.442 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.405 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 29.2 m-70 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 15' ' ' VAL . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 14' ' ' THR . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 15' ' ' VAL . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.508 HG22 ' CE1' ' A' ' 75' ' ' TYR . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' N ' HG21 ' A' ' 28' ' ' ILE . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.484 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.443 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 92' ' ' LEU . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.539 HD12 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.425 ' CG ' HG21 ' A' ' 28' ' ' ILE . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.451 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.412 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CD1' HD12 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 6.3 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 75' ' ' TYR . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.56 ' CE ' ' CD2' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CD2' ' CE ' ' A' ' 33' ' ' MET . 12.8 m-70 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.485 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CD2' HD12 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 14' ' ' THR . 7.1 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' CA ' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 15' ' ' VAL . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 75' ' ' TYR . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.52 ' HE2' ' CG ' ' A' ' 57' ' ' HIS . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 39' ' ' SER . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 38' ' ' THR . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 45' ' ' THR . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 44' ' ' VAL . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' HE2' ' A' ' 33' ' ' MET . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 61' ' ' PHE . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.47 ' CA ' HG23 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CG ' HG12 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.498 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 28' ' ' ILE . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 15' ' ' VAL . 2.0 pt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG22 ' CA ' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 15' ' ' VAL . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 29' ' ' ASN . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' N ' HG23 ' A' ' 28' ' ' ILE . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' HG22 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HZ2' ' N ' ' A' ' 78' ' ' GLN . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ2' ' A' ' 74' ' ' LYS . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 90' ' ' GLY . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' VAL . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 75' ' ' TYR . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.5 mm-40 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' HG23 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.469 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.556 ' CD1' HG22 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 89' ' ' VAL . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' N ' HG21 ' A' ' 88' ' ' THR . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.5 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 45' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.423 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.437 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.552 ' CE1' HG22 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' CA ' ' A' ' 65' ' ' GLU . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 ' CD1' HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.5 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 28' ' ' ILE . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' CA ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 3.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 75' ' ' TYR . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 28' ' ' ILE . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' CD1' ' A' ' 61' ' ' PHE . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 28' ' ' ILE . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.49 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.4 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 92' ' ' LEU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.459 ' N ' HG21 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' OE2' ' CG2' ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.443 ' CG2' ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.539 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.403 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 15' ' ' VAL . 7.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' HD11 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.43 HG22 ' CD1' ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.546 HG22 ' CE1' ' A' ' 75' ' ' TYR . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.414 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CE1' HG22 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' PRO . 2.5 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.859 0.362 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 75' ' ' TYR . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.6 mm-40 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.483 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' ILE . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.405 HG21 ' CG ' ' A' ' 33' ' ' MET . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.459 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.54 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -75.37 168.46 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -89.18 37.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -129.44 8.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -143.58 149.01 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -93.47 65.65 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.58 -104.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 158.79 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.02 144.78 5.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.0 2.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 p -85.85 109.01 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.66 -30.39 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.18 163.42 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HG3' ' CG2' ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.454 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.534 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -62.62 -28.15 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.85 143.71 13.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.71 89.61 7.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.06 152.8 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.1 87.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -144.4 133.98 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.824 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 166.66 145.18 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 176.68 6.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t -98.13 90.55 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -92.27 -62.89 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -132.78 167.85 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -49.92 154.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.78 91.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -153.15 171.72 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -95.82 84.99 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 -92.73 2.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.69 37.33 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 141.25 41.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.59 10.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -151.91 128.19 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.43 -26.16 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.73 162.55 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG21 ' CA ' ' A' ' 65' ' ' GLU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG12 ' CE2' ' A' ' 75' ' ' TYR . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE3' ' NE2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' N ' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.468 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' NE2' ' HE3' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' CA ' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.411 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 4.9 tp -57.4 -49.53 75.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.25 126.17 0.81 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.58 107.74 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.49 -168.7 18.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.69 122.23 4.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -173.0 113.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 147.95 13.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -38.94 7.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -99.68 165.97 11.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -74.02 90.79 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -52.93 135.68 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -135.67 162.38 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.28 -129.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -159.54 163.87 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -72.24 119.85 17.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -86.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 156.89 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.95 145.3 97.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 171.53 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 p -127.29 131.01 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.51 -41.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.36 156.56 38.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 65' ' ' GLU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.467 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.458 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.521 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.08 -20.51 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.43 55.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.44 169.34 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.49 -47.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.27 151.66 23.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.4 p -110.1 -49.19 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.62 138.23 5.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 97.19 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -97.58 130.08 44.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.8 t -86.11 -46.4 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -159.68 151.82 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -153.63 167.69 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.78 126.11 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.41 179.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -111.61 160.12 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 -139.27 5.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -174.73 110.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.47 144.35 28.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -56.24 96.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.26 -46.39 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.34 149.68 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' N ' ' CG2' ' A' ' 14' ' ' THR . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 45' ' ' THR . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.43 ' N ' HG21 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' GLU . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.468 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CD2' HG22 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 10.5 mm-40 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 66' ' ' MET . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 49.7 m-70 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -50.02 -31.14 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.61 -148.28 5.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -147.08 141.77 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.61 166.62 34.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.95 111.34 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.1 m -117.66 102.09 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.74 148.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.64 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 p -114.8 103.38 10.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.0 p -113.44 93.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.3 140.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -113.97 -55.8 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -105.49 151.73 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -138.56 150.19 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 123.87 147.89 7.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 tpp85 -34.25 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 152.87 10.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.16 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 p -64.04 98.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.2 -17.03 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.39 163.62 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 92' ' ' LEU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 75' ' ' TYR . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 45' ' ' THR . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.3 mm-40 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.489 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.511 ' CD1' HG23 ' A' ' 28' ' ' ILE . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 32.1 m-70 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' N ' HG11 ' A' ' 15' ' ' VAL . 1.7 pp -51.41 -20.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.31 -127.56 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.47 147.73 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.51 161.27 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.28 141.73 11.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 144.27 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.19 -88.89 2.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 174.8 8.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -76.3 110.91 11.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 t -69.59 99.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -146.16 146.68 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -107.79 126.46 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 90.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -107.82 156.96 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -167.55 127.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.83 138.26 5.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -42.51 136.99 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.89 151.2 55.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 177.29 5.7 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.617 ' HG ' ' N ' ' A' ' 90' ' ' GLY . 1.5 t -121.91 124.82 44.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -95.16 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.85 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 15' ' ' VAL . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 14' ' ' THR . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.488 HD11 ' CD2' ' A' ' 75' ' ' TYR . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.488 ' CD2' HD11 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.539 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.617 ' N ' ' HG ' ' A' ' 11' ' ' SER . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -36.4 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.15 127.16 8.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -87.91 161.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.16 72.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.22 -149.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -134.93 101.32 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.03 142.4 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.37 37.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 51.28 25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -63.93 -26.46 68.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -153.83 118.97 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -34.6 -60.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -136.88 13.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -105.14 150.09 25.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -38.66 -53.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.08 39.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -133.45 155.74 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.03 144.19 29.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -101.56 106.4 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 13' ' ' ALA . 27.4 m -76.69 -46.1 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -117.58 156.59 27.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG21 ' C ' ' A' ' 64' ' ' GLN . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 29' ' ' ASN . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 7.6 p30 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' C ' HG21 ' A' ' 15' ' ' VAL . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.408 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.442 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.405 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 29.2 m-70 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp -51.45 -22.9 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.18 -163.83 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -110.59 -176.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.83 -139.69 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.59 92.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.4 m -108.63 117.03 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 166.09 27.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 m -70.55 109.88 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.1 p -57.71 157.54 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -160.68 163.95 32.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -156.16 169.5 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.83 164.73 25.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.44 157.4 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -105.6 154.01 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.31 135.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 38.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.46 145.39 63.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.04 6.21 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -154.62 119.44 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.32 -20.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.84 158.12 38.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 15' ' ' VAL . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 14' ' ' THR . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 15' ' ' VAL . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.508 HG22 ' CE1' ' A' ' 75' ' ' TYR . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' N ' HG21 ' A' ' 28' ' ' ILE . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.42 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.484 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -50.59 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.82 153.19 16.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -127.49 57.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.09 165.93 34.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.31 177.04 19.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -109.76 154.08 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.36 -166.49 13.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 91.68 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -99.75 99.67 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -81.87 -58.19 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -75.48 90.1 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -51.69 -46.51 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 163.31 22.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -163.89 124.33 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 p -150.39 177.39 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.15 63.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.78 51.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.34 145.41 30.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.45 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -98.19 113.0 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.14 -15.6 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.18 152.75 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 92' ' ' LEU . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.539 HD12 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.425 ' CG ' HG21 ' A' ' 28' ' ' ILE . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.451 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.412 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.559 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CD1' HD12 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.559 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 6.3 tp -47.32 -70.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.81 60.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -54.55 164.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.81 -149.34 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.86 84.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.4 t -124.69 100.7 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.08 150.56 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.39 4.53 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -91.73 128.97 37.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 m -92.94 124.06 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -129.36 168.36 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -139.72 161.05 38.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 103.52 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -115.1 110.39 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -170.44 147.07 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.18 157.83 7.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -90.76 131.52 36.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.35 156.96 77.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -119.98 124.23 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 m -106.43 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.11 159.43 14.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 75' ' ' TYR . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' N ' HG23 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.56 ' CE ' ' CD2' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CD2' ' CE ' ' A' ' 33' ' ' MET . 12.8 m-70 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.485 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CD2' HD12 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.531 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 14' ' ' THR . 7.1 tp -44.36 -59.87 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.39 -118.48 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -44.77 100.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.08 -108.39 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -113.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 62.4 40.23 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.98 -164.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 p -41.08 116.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -151.35 111.39 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -151.57 133.6 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -80.27 -62.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.68 -152.99 20.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -120.63 134.02 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -127.94 136.53 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.09 -136.86 5.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -81.36 141.08 34.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.63 149.66 20.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.3 35.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -121.18 128.67 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.73 -39.95 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.24 145.85 29.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' CA ' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 15' ' ' VAL . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 75' ' ' TYR . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.52 ' HE2' ' CG ' ' A' ' 57' ' ' HIS . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 39' ' ' SER . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 38' ' ' THR . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 45' ' ' THR . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 44' ' ' VAL . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' ' HE2' ' A' ' 33' ' ' MET . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 61' ' ' PHE . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.47 ' CA ' HG23 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CG ' HG12 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.498 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 28' ' ' ILE . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 15' ' ' VAL . 2.0 pt? -50.8 -19.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.47 -165.98 26.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -72.78 133.12 44.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.11 -84.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.72 166.2 19.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.4 p -64.34 162.07 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.8 146.66 12.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.93 4.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.8 m -152.45 163.99 38.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -88.07 153.69 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -51.94 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.72 135.88 54.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.67 165.45 36.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -73.62 143.87 46.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -133.94 171.56 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.98 -149.26 22.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -128.09 120.95 28.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 31.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 148.44 65.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -71.82 105.98 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 m -93.73 -20.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.79 155.17 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG22 ' CA ' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.455 ' N ' HG21 ' A' ' 15' ' ' VAL . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 29' ' ' ASN . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' N ' HG23 ' A' ' 28' ' ' ILE . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' HG22 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HZ2' ' N ' ' A' ' 78' ' ' GLN . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ2' ' A' ' 74' ' ' LYS . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.463 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 90' ' ' GLY . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' VAL . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? -52.16 -16.77 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -111.43 3.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.01 104.11 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.48 -149.32 5.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.38 48.37 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -48.95 137.61 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.97 160.35 27.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.4 68.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -81.51 107.68 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.0 p -149.27 143.15 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -113.03 166.56 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 167.12 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.62 -120.07 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -121.15 172.39 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 p -118.33 131.32 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.11 -138.84 10.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -80.98 144.05 32.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.06 144.43 31.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 53.6 Cg_endo -69.77 103.18 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' PRO . 57.7 p -35.14 111.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.75 -15.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.73 -177.65 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 75' ' ' TYR . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.5 mm-40 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CG ' HG23 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.556 ' CD1' HG22 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 89' ' ' VAL . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' N ' HG21 ' A' ' 88' ' ' THR . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.5 pt? -49.58 -28.13 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.0 -169.0 42.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.24 120.01 22.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.22 144.89 4.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.92 2.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.6 t 67.47 26.14 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.92 -89.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.74 35.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -51.49 146.07 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t -155.35 110.21 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -67.3 116.08 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -69.76 -57.85 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 178.37 15.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -89.94 154.96 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -115.34 -50.48 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.56 -120.28 3.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -109.81 117.06 32.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.19 153.39 51.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.07 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.8 p -107.38 114.32 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.38 -35.81 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.55 -178.47 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 45' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.423 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.552 ' CE1' HG22 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 93' ' ' GLY . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -44.84 -22.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 91' ' ' PRO . . . 143.98 -139.61 8.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -104.01 -70.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.08 166.82 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.07 177.93 44.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -65.97 135.65 55.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.02 -92.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 117.61 5.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -120.79 153.13 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -66.06 85.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -92.88 138.65 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -80.8 137.16 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.76 -132.3 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -126.46 142.75 51.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -147.17 117.85 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 173.39 111.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 mtt-85 -37.69 106.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 146.76 34.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.03 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -96.26 97.03 9.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.42 -25.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.41 166.75 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' CA ' ' A' ' 65' ' ' GLU . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 ' CD1' HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.5 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' N ' HG21 ' A' ' 28' ' ' ILE . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 HG22 ' CD1' ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' CA ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.5 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 3.5 pp -48.41 -28.67 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.96 104.79 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.544 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -127.69 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.19 71.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.33 134.02 1.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -120.8 133.85 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.64 60.31 1.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -108.34 153.02 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t 61.25 42.19 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -118.06 169.35 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 p -108.96 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 134.52 4.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -66.38 175.73 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -120.45 177.98 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.08 -135.65 30.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -63.3 -175.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.61 152.54 12.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 p -64.25 97.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.8 -24.8 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.97 45.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 75' ' ' TYR . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 28' ' ' ILE . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' CD1' ' A' ' 61' ' ' PHE . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' A' ' 28' ' ' ILE . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.49 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.4 pp -55.98 -21.62 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.48 140.13 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' GLY . 11.2 pt-20 -64.17 -6.85 7.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' GLU . . . 35.77 -146.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.27 -159.42 28.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t 56.26 51.25 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.13 -94.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -78.06 -51.05 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -51.49 -45.24 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -99.89 150.11 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -43.91 136.13 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.81 128.61 9.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -92.17 162.51 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -139.09 146.64 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.1 -72.85 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -143.2 120.74 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.36 144.08 49.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 122.01 8.71 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -72.52 104.7 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.86 -26.79 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.31 145.63 51.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 92' ' ' LEU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' N ' HG21 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' OE2' ' CG2' ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' CG2' ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.481 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.539 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.403 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 15' ' ' VAL . 7.5 tp -46.56 -63.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.11 102.27 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.43 127.97 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.03 -48.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.84 174.43 45.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -163.72 176.84 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -129.12 155.41 20.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.71 38.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 t -91.74 103.31 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -135.95 145.05 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -102.56 123.3 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -82.86 93.69 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.55 159.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -168.68 139.97 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m 47.06 40.39 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.95 -104.21 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 1.7 mpp_? -66.89 83.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.85 160.43 58.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.531 0.681 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 125.76 12.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.0 p -82.46 107.3 15.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.28 -34.04 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.83 134.3 48.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' HD11 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.43 HG22 ' CD1' ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG22 ' CE1' ' A' ' 75' ' ' TYR . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.414 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CE1' HG22 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.51 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' PRO . 2.5 pt? -37.1 -37.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.59 159.63 21.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.96 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.07 176.34 51.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.3 -117.95 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t 64.78 41.37 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.71 -79.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 152.89 69.51 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -145.56 148.7 33.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -91.68 19.31 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -61.88 90.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -40.61 -44.09 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 132.68 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -114.23 125.71 54.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -166.98 118.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -64.63 -152.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 ptp180 34.58 38.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 146.02 88.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.56 45.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -101.18 100.83 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.83 -25.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.84 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 75' ' ' TYR . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.6 mm-40 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.483 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 28' ' ' ILE . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -50.46 -49.61 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' N ' ' CD2' ' A' ' 92' ' ' LEU . . . 158.2 163.02 12.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -39.89 108.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.54 -161.33 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.81 131.25 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -88.45 33.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.5 -161.46 33.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 t -92.45 127.62 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 136.64 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -107.99 167.99 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -122.7 -47.76 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.11 -98.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 40.37 42.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -115.16 153.7 30.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 170.53 29.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -53.63 137.86 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.48 158.33 72.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -179.09 2.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 m -99.55 94.99 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.91 -36.85 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.42 173.72 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.405 HG21 ' CG ' ' A' ' 33' ' ' MET . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.459 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.54 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 93' ' ' GLY . 1.2 tt -49.36 -56.41 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' N ' ' CD2' ' A' ' 92' ' ' LEU . . . -143.21 144.97 14.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -86.58 124.55 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.54 152.89 8.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.3 -102.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 m 55.45 42.38 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.11 82.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.22 4.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 p 42.18 39.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p -120.91 126.71 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.589 HG23 ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 21' ' ' LEU . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.52 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 57' ' ' HIS . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 49' ' ' ILE . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG13 ' HB1' ' A' ' 47' ' ' ALA . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' HG23 ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.509 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG23 ' A' ' 88' ' ' THR . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.509 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 73' ' ' VAL . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 HG12 ' A' ' 71' ' ' VAL . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.682 HG23 HG22 ' A' ' 68' ' ' VAL . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 63' ' ' PRO . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' HG13 ' A' ' 15' ' ' VAL . 1.8 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.71 HG13 ' HB2' ' A' ' 92' ' ' LEU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.704 HD13 HG22 ' A' ' 62' ' ' VAL . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 29' ' ' ASN . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.433 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' CG ' ' A' ' 61' ' ' PHE . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 44' ' ' VAL . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 38' ' ' THR . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 57' ' ' HIS . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.487 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CG ' HG21 ' A' ' 37' ' ' VAL . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.704 HG22 HD13 ' A' ' 18' ' ' ILE . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.637 ' O ' HG11 ' A' ' 89' ' ' VAL . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.609 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' GLN . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB2' HG13 ' A' ' 15' ' ' VAL . 4.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.882 0.372 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 92' ' ' LEU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 25' ' ' ILE . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 23' ' ' LEU . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 75' ' ' TYR . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 44' ' ' VAL . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 38' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.864 HG22 HG23 ' A' ' 88' ' ' THR . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 28' ' ' ILE . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.864 HG23 HG22 ' A' ' 68' ' ' VAL . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 63' ' ' PRO . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 65' ' ' GLU . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 60' ' ' ARG . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG13 ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.49 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.821 HG13 ' HB1' ' A' ' 47' ' ' ALA . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.574 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 18' ' ' ILE . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.691 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.705 ' O ' HG11 ' A' ' 89' ' ' VAL . 8.8 mm100 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' CB ' HG21 ' A' ' 15' ' ' VAL . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 61' ' ' PHE . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG12 ' HD2' ' A' ' 61' ' ' PHE . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 37' ' ' VAL . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.1 mm100 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 88' ' ' THR . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.537 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 35' ' ' ALA . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.512 HG23 HG22 ' A' ' 68' ' ' VAL . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 63' ' ' PRO . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 92' ' ' LEU . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 23' ' ' LEU . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD12 HD23 ' A' ' 21' ' ' LEU . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 28' ' ' ILE . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 25' ' ' ILE . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 50' ' ' VAL . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' OE2' ' A' ' 48' ' ' GLU . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG13 ' HB1' ' A' ' 47' ' ' ALA . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.9 mm100 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 88' ' ' THR . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 68' ' ' VAL . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 63' ' ' PRO . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 28' ' ' ILE . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 25' ' ' ILE . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 47' ' ' ALA . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.538 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' A' ' 15' ' ' VAL . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 HG23 ' A' ' 88' ' ' THR . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 73' ' ' VAL . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 71' ' ' VAL . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.461 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.652 HG23 HG22 ' A' ' 68' ' ' VAL . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 63' ' ' PRO . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 62' ' ' VAL . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.981 HG21 HD12 ' A' ' 28' ' ' ILE . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.981 HD12 HG21 ' A' ' 25' ' ' ILE . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 28' ' ' ILE . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 18' ' ' ILE . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.849 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.514 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 88' ' ' THR . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 73' ' ' VAL . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG23 HG12 ' A' ' 71' ' ' VAL . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CE1' HG23 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HB2' ' A' ' 63' ' ' PRO . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 15' ' ' VAL . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.57 ' N ' HG22 ' A' ' 14' ' ' THR . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' HD2' ' A' ' 60' ' ' ARG . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' ILE . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.465 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 18' ' ' ILE . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 88' ' ' THR . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 HG23 ' A' ' 73' ' ' VAL . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 71' ' ' VAL . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 83' ' ' SER . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HB2' HG22 ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.457 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' PRO . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 6.3 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.537 HG23 ' HG3' ' A' ' 60' ' ' ARG . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 28' ' ' ILE . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 25' ' ' ILE . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.476 ' CE ' ' CE1' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 57' ' ' HIS . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.548 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.2 m80 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HG3' HG23 ' A' ' 18' ' ' ILE . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 37' ' ' VAL . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 18' ' ' ILE . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 15' ' ' VAL . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 88' ' ' THR . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 83' ' ' SER . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 68' ' ' VAL . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 63' ' ' PRO . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HA ' HG22 ' A' ' 14' ' ' THR . 7.1 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' VAL . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 HG11 ' A' ' 71' ' ' VAL . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 28' ' ' ILE . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.65 ' H ' HG22 ' A' ' 25' ' ' ILE . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 1.4 m120 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.617 HG22 HD13 ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.75 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HB3' HG21 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.667 HG22 HG23 ' A' ' 88' ' ' THR . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 21' ' ' LEU . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD1' HG23 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.546 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 68' ' ' VAL . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 63' ' ' PRO . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.0 pt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG22 ' HG3' ' A' ' 33' ' ' MET . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG3' HG22 ' A' ' 28' ' ' ILE . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB ' ' A' ' 44' ' ' VAL . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 38' ' ' THR . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 47' ' ' ALA . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.701 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.474 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 63' ' ' PRO . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.86 HG21 ' HG2' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 62' ' ' VAL . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.054 HG21 HD12 ' A' ' 28' ' ' ILE . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.054 HD12 HG21 ' A' ' 25' ' ' ILE . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 57' ' ' HIS . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 18' ' ' ILE . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 9.6 mm100 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.86 ' HG2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.611 ' CD1' HG23 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 83' ' ' SER . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 63' ' ' PRO . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 92' ' ' LEU . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 28' ' ' ILE . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.709 HG23 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CG ' ' HB3' ' A' ' 29' ' ' ASN . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 61' ' ' PHE . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.477 HG23 ' HB ' ' A' ' 44' ' ' VAL . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 38' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.428 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.744 ' O ' HG11 ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 88' ' ' THR . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 84' ' ' PRO . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.709 ' CE1' HG23 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' HB2' HG22 ' A' ' 70' ' ' THR . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 68' ' ' VAL . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.663 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.4 pt? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' VAL . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' THR . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 23' ' ' LEU . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 21' ' ' LEU . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 25' ' ' ILE . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 24' ' ' LYS . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HD2' HG21 ' A' ' 18' ' ' ILE . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.451 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.819 HG22 HG23 ' A' ' 88' ' ' THR . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 84' ' ' PRO . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.509 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 HG22 ' A' ' 68' ' ' VAL . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 15' ' ' VAL . 3.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 15' ' ' VAL . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.754 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 73' ' ' VAL . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 HG12 ' A' ' 71' ' ' VAL . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.56 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.754 HG21 ' HB2' ' A' ' 63' ' ' PRO . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 62' ' ' VAL . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.51 ' N ' HG22 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.779 ' OE2' HG22 ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.779 HG22 ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 18' ' ' ILE . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.81 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.607 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 88' ' ' THR . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.622 ' HB3' HG22 ' A' ' 80' ' ' VAL . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 68' ' ' VAL . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.81 HG21 ' HB2' ' A' ' 63' ' ' PRO . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' A' ' 15' ' ' VAL . 7.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 62' ' ' VAL . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 23' ' ' LEU . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 21' ' ' LEU . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.695 HD12 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' N ' HG22 ' A' ' 28' ' ' ILE . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' A' ' 47' ' ' ALA . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' ILE . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.98 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 21' ' ' LEU . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 HG12 ' A' ' 71' ' ' VAL . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' PRO . 2.5 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.859 0.362 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 92' ' ' LEU . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' HG3' ' A' ' 60' ' ' ARG . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.805 HD23 HD11 ' A' ' 23' ' ' LEU . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 HD23 ' A' ' 21' ' ' LEU . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 27' ' ' GLU . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' ILE . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 57' ' ' HIS . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 61' ' ' PHE . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 18' ' ' ILE . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 59' ' ' VAL . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.807 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 9.5 mm100 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.539 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 63' ' ' PRO . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' N ' HG22 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 62' ' ' VAL . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 71' ' ' VAL . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 75' ' ' TYR . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.477 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 47' ' ' ALA . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CB ' HG21 ' A' ' 37' ' ' VAL . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 18' ' ' ILE . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CB ' HG21 ' A' ' 15' ' ' VAL . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 21' ' ' LEU . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD2' HG23 ' A' ' 28' ' ' ILE . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 92' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -75.37 168.46 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -89.18 37.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -129.44 8.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -143.58 149.01 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -93.47 65.65 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.58 -104.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 158.79 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.02 144.78 5.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.0 2.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 p -85.85 109.01 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.66 -30.39 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.18 163.42 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.589 HG23 ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 21' ' ' LEU . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.52 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 57' ' ' HIS . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 49' ' ' ILE . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG13 ' HB1' ' A' ' 47' ' ' ALA . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' HG23 ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.509 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG23 ' A' ' 88' ' ' THR . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.509 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 73' ' ' VAL . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 HG12 ' A' ' 71' ' ' VAL . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.682 HG23 HG22 ' A' ' 68' ' ' VAL . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 63' ' ' PRO . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' HG13 ' A' ' 15' ' ' VAL . 1.8 pt? -62.62 -28.15 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.85 143.71 13.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.71 89.61 7.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.06 152.8 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.1 87.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -144.4 133.98 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.824 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 166.66 145.18 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 176.68 6.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t -98.13 90.55 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -92.27 -62.89 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -132.78 167.85 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -49.92 154.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.78 91.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -153.15 171.72 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -95.82 84.99 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 -92.73 2.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.69 37.33 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 141.25 41.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.59 10.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -151.91 128.19 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.43 -26.16 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.73 162.55 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.71 HG13 ' HB2' ' A' ' 92' ' ' LEU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.704 HD13 HG22 ' A' ' 62' ' ' VAL . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 29' ' ' ASN . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.433 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' CG ' ' A' ' 61' ' ' PHE . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 44' ' ' VAL . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 38' ' ' THR . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 57' ' ' HIS . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.487 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CG ' HG21 ' A' ' 37' ' ' VAL . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.704 HG22 HD13 ' A' ' 18' ' ' ILE . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.637 ' O ' HG11 ' A' ' 89' ' ' VAL . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.609 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' GLN . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB2' HG13 ' A' ' 15' ' ' VAL . 4.9 tp -57.4 -49.53 75.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.25 126.17 0.81 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.58 107.74 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.49 -168.7 18.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.69 122.23 4.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -173.0 113.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 147.95 13.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -38.94 7.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -99.68 165.97 11.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -74.02 90.79 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -52.93 135.68 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -135.67 162.38 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.28 -129.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -159.54 163.87 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -72.24 119.85 17.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -86.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 156.89 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.95 145.3 97.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 171.53 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 p -127.29 131.01 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 13' ' ' ALA . 34.2 m -93.51 -41.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -125.36 156.56 38.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 92' ' ' LEU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 25' ' ' ILE . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 23' ' ' LEU . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 75' ' ' TYR . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 44' ' ' VAL . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 38' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.864 HG22 HG23 ' A' ' 88' ' ' THR . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 28' ' ' ILE . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.864 HG23 HG22 ' A' ' 68' ' ' VAL . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 63' ' ' PRO . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? -59.08 -20.51 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.43 55.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.44 169.34 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.49 -47.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.27 151.66 23.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.4 p -110.1 -49.19 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.62 138.23 5.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 97.19 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -97.58 130.08 44.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.8 t -86.11 -46.4 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -159.68 151.82 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -153.63 167.69 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.78 126.11 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.41 179.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -111.61 160.12 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 -139.27 5.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -174.73 110.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.47 144.35 28.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -56.24 96.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 13' ' ' ALA . 27.2 m -57.26 -46.39 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -93.34 149.68 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 65' ' ' GLU . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 60' ' ' ARG . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG13 ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.49 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.821 HG13 ' HB1' ' A' ' 47' ' ' ALA . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.574 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 18' ' ' ILE . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.691 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.705 ' O ' HG11 ' A' ' 89' ' ' VAL . 8.8 mm100 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' CB ' HG21 ' A' ' 15' ' ' VAL . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.1 pt? -50.02 -31.14 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.61 -148.28 5.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -147.08 141.77 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.61 166.62 34.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.95 111.34 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.1 m -117.66 102.09 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.74 148.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.64 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 p -114.8 103.38 10.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.0 p -113.44 93.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.3 140.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -113.97 -55.8 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -105.49 151.73 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -138.56 150.19 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 123.87 147.89 7.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 tpp85 -34.25 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 152.87 10.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.16 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 p -64.04 98.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.2 -17.03 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.39 163.62 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 61' ' ' PHE . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG12 ' HD2' ' A' ' 61' ' ' PHE . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 37' ' ' VAL . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.1 mm100 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 88' ' ' THR . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.537 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 35' ' ' ALA . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.512 HG23 HG22 ' A' ' 68' ' ' VAL . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 63' ' ' PRO . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.7 pp -51.41 -20.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.31 -127.56 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.47 147.73 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.51 161.27 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.28 141.73 11.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 144.27 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.19 -88.89 2.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 174.8 8.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -76.3 110.91 11.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 t -69.59 99.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -146.16 146.68 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -107.79 126.46 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 90.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -107.82 156.96 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -167.55 127.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.83 138.26 5.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -42.51 136.99 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.89 151.2 55.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 177.29 5.7 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -121.91 124.82 44.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -95.16 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.85 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 92' ' ' LEU . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 23' ' ' LEU . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD12 HD23 ' A' ' 21' ' ' LEU . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 28' ' ' ILE . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 25' ' ' ILE . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 50' ' ' VAL . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' OE2' ' A' ' 48' ' ' GLU . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG13 ' HB1' ' A' ' 47' ' ' ALA . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.9 mm100 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 88' ' ' THR . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 68' ' ' VAL . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 63' ' ' PRO . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.797 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -62.71 -36.4 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.15 127.16 8.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -87.91 161.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.16 72.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.22 -149.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -134.93 101.32 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.03 142.4 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.37 37.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 51.28 25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -63.93 -26.46 68.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -153.83 118.97 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -34.6 -60.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -136.88 13.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -105.14 150.09 25.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -38.66 -53.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.08 39.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -133.45 155.74 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.03 144.19 29.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -101.56 106.4 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG23 ' N ' ' A' ' 13' ' ' ALA . 27.4 m -76.69 -46.1 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -117.58 156.59 27.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 28' ' ' ILE . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 25' ' ' ILE . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 47' ' ' ALA . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.538 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.464 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' A' ' 15' ' ' VAL . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 HG23 ' A' ' 88' ' ' THR . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 73' ' ' VAL . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 71' ' ' VAL . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.652 HG23 HG22 ' A' ' 68' ' ' VAL . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 63' ' ' PRO . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp -51.45 -22.9 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.18 -163.83 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -110.59 -176.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.83 -139.69 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.59 92.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.4 m -108.63 117.03 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 166.09 27.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 m -70.55 109.88 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.1 p -57.71 157.54 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -160.68 163.95 32.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -156.16 169.5 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.83 164.73 25.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.44 157.4 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -105.6 154.01 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.31 135.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 38.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.46 145.39 63.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.04 6.21 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -154.62 119.44 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.32 -20.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.84 158.12 38.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 62' ' ' VAL . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.981 HG21 HD12 ' A' ' 28' ' ' ILE . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.981 HD12 HG21 ' A' ' 25' ' ' ILE . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 28' ' ' ILE . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 18' ' ' ILE . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.849 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.514 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 88' ' ' THR . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 73' ' ' VAL . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG23 HG12 ' A' ' 71' ' ' VAL . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CE1' HG23 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HB2' ' A' ' 63' ' ' PRO . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.2 pt? -50.59 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.82 153.19 16.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -127.49 57.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.09 165.93 34.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.31 177.04 19.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -109.76 154.08 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.36 -166.49 13.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 91.68 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -99.75 99.67 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -81.87 -58.19 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -75.48 90.1 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -51.69 -46.51 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 163.31 22.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -163.89 124.33 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 p -150.39 177.39 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.15 63.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.78 51.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.34 145.41 30.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.45 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -98.19 113.0 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.14 -15.6 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.18 152.75 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 15' ' ' VAL . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.57 ' N ' HG22 ' A' ' 14' ' ' THR . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' HD2' ' A' ' 60' ' ' ARG . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' ILE . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.465 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 18' ' ' ILE . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 88' ' ' THR . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 HG23 ' A' ' 73' ' ' VAL . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 71' ' ' VAL . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 83' ' ' SER . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HB2' HG22 ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.457 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' PRO . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 6.3 tp -47.32 -70.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.81 60.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -54.55 164.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.81 -149.34 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.86 84.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.4 t -124.69 100.7 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.08 150.56 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.39 4.53 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -91.73 128.97 37.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 m -92.94 124.06 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -129.36 168.36 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -139.72 161.05 38.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 103.52 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -115.1 110.39 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -170.44 147.07 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.18 157.83 7.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -90.76 131.52 36.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -129.35 156.96 77.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.9 Cg_endo -69.76 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -119.98 124.23 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 m -106.43 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.11 159.43 14.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.537 HG23 ' HG3' ' A' ' 60' ' ' ARG . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 28' ' ' ILE . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 25' ' ' ILE . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.476 ' CE ' ' CE1' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 57' ' ' HIS . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.2 m80 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HG3' HG23 ' A' ' 18' ' ' ILE . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 37' ' ' VAL . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 18' ' ' ILE . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 15' ' ' VAL . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 88' ' ' THR . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 83' ' ' SER . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 68' ' ' VAL . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 63' ' ' PRO . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HA ' HG22 ' A' ' 14' ' ' THR . 7.1 tp -44.36 -59.87 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.39 -118.48 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -44.77 100.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.08 -108.39 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -113.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 62.4 40.23 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.98 -164.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 p -41.08 116.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -151.35 111.39 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -151.57 133.6 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -80.27 -62.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.68 -152.99 20.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -120.63 134.02 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -127.94 136.53 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.09 -136.86 5.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -81.36 141.08 34.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.63 149.66 20.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.3 35.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -121.18 128.67 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 13' ' ' ALA . 28.4 m -85.73 -39.95 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -103.24 145.85 29.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' VAL . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 HG11 ' A' ' 71' ' ' VAL . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 28' ' ' ILE . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.65 ' H ' HG22 ' A' ' 25' ' ' ILE . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 1.4 m120 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.617 HG22 HD13 ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.75 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HB3' HG21 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.667 HG22 HG23 ' A' ' 88' ' ' THR . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 21' ' ' LEU . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD1' HG23 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.546 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 68' ' ' VAL . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 63' ' ' PRO . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.0 pt? -50.8 -19.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.47 -165.98 26.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -72.78 133.12 44.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.11 -84.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.72 166.2 19.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.4 p -64.34 162.07 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.8 146.66 12.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.93 4.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.8 m -152.45 163.99 38.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -88.07 153.69 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -51.94 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.72 135.88 54.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.67 165.45 36.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -73.62 143.87 46.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -133.94 171.56 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.98 -149.26 22.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -128.09 120.95 28.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 31.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 148.44 65.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -71.82 105.98 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 m -93.73 -20.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.79 155.17 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG22 ' HG3' ' A' ' 33' ' ' MET . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG3' HG22 ' A' ' 28' ' ' ILE . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB ' ' A' ' 44' ' ' VAL . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 38' ' ' THR . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 47' ' ' ALA . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.701 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.474 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 63' ' ' PRO . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? -52.16 -16.77 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -111.43 3.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.01 104.11 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.48 -149.32 5.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.38 48.37 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -48.95 137.61 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.97 160.35 27.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.4 68.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -81.51 107.68 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.0 p -149.27 143.15 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -113.03 166.56 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 167.12 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.62 -120.07 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -121.15 172.39 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 p -118.33 131.32 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.11 -138.84 10.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -80.98 144.05 32.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.06 144.43 31.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 53.6 Cg_endo -69.77 103.18 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' PRO . 57.7 p -35.14 111.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 12' ' ' VAL . 2.7 m -71.75 -15.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.73 -177.65 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.86 HG21 ' HG2' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 62' ' ' VAL . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.054 HG21 HD12 ' A' ' 28' ' ' ILE . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.054 HD12 HG21 ' A' ' 25' ' ' ILE . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 57' ' ' HIS . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 18' ' ' ILE . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 9.6 mm100 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.86 ' HG2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.611 ' CD1' HG23 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 83' ' ' SER . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 63' ' ' PRO . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.5 pt? -49.58 -28.13 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.0 -169.0 42.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.24 120.01 22.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.22 144.89 4.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.92 2.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.6 t 67.47 26.14 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.92 -89.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.74 35.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -51.49 146.07 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t -155.35 110.21 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -67.3 116.08 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -69.76 -57.85 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 178.37 15.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -89.94 154.96 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -115.34 -50.48 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.56 -120.28 3.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -109.81 117.06 32.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.19 153.39 51.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.07 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.8 p -107.38 114.32 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.38 -35.81 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.55 -178.47 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 92' ' ' LEU . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 28' ' ' ILE . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.709 HG23 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CG ' ' HB3' ' A' ' 29' ' ' ASN . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 61' ' ' PHE . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.477 HG23 ' HB ' ' A' ' 44' ' ' VAL . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 38' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.428 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.744 ' O ' HG11 ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 88' ' ' THR . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 84' ' ' PRO . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.709 ' CE1' HG23 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' HB2' HG22 ' A' ' 70' ' ' THR . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 68' ' ' VAL . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 93' ' ' GLY . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.663 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.4 pt? -44.84 -22.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 91' ' ' PRO . . . 143.98 -139.61 8.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -104.01 -70.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.08 166.82 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.07 177.93 44.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -65.97 135.65 55.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.02 -92.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 117.61 5.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -120.79 153.13 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -66.06 85.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -92.88 138.65 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -80.8 137.16 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.76 -132.3 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -126.46 142.75 51.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -147.17 117.85 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 173.39 111.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 mtt-85 -37.69 106.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 146.76 34.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.03 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -96.26 97.03 9.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.42 -25.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.41 166.75 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' VAL . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' THR . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 23' ' ' LEU . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 21' ' ' LEU . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 25' ' ' ILE . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 24' ' ' LYS . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HD2' HG21 ' A' ' 18' ' ' ILE . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.451 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.819 HG22 HG23 ' A' ' 88' ' ' THR . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 84' ' ' PRO . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.509 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 HG22 ' A' ' 68' ' ' VAL . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 15' ' ' VAL . 3.5 pp -48.41 -28.67 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.96 104.79 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.544 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -127.69 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.19 71.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.33 134.02 1.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -120.8 133.85 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.64 60.31 1.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -108.34 153.02 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t 61.25 42.19 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -118.06 169.35 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 p -108.96 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 134.52 4.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -66.38 175.73 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -120.45 177.98 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.08 -135.65 30.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -63.3 -175.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.61 152.54 12.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 p -64.25 97.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.8 -24.8 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.97 45.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 15' ' ' VAL . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.754 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 73' ' ' VAL . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 HG12 ' A' ' 71' ' ' VAL . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.56 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.754 HG21 ' HB2' ' A' ' 63' ' ' PRO . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 pp -55.98 -21.62 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.48 140.13 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' GLY . 11.2 pt-20 -64.17 -6.85 7.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' GLU . . . 35.77 -146.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.27 -159.42 28.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t 56.26 51.25 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.13 -94.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -78.06 -51.05 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -51.49 -45.24 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -99.89 150.11 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -43.91 136.13 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.81 128.61 9.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -92.17 162.51 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -139.09 146.64 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.1 -72.85 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -143.2 120.74 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.36 144.08 49.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 122.01 8.71 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -72.52 104.7 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.86 -26.79 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.31 145.63 51.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 62' ' ' VAL . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.51 ' N ' HG22 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.779 ' OE2' HG22 ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.779 HG22 ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 18' ' ' ILE . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.81 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.607 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 88' ' ' THR . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.622 ' HB3' HG22 ' A' ' 80' ' ' VAL . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 68' ' ' VAL . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.81 HG21 ' HB2' ' A' ' 63' ' ' PRO . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' A' ' 15' ' ' VAL . 7.5 tp -46.56 -63.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.11 102.27 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.43 127.97 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.03 -48.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.84 174.43 45.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -163.72 176.84 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -129.12 155.41 20.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.71 38.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 t -91.74 103.31 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -135.95 145.05 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -102.56 123.3 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -82.86 93.69 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.55 159.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -168.68 139.97 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m 47.06 40.39 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.95 -104.21 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.89 83.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -83.85 160.43 58.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.531 0.681 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.1 Cg_endo -69.73 125.76 12.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.0 p -82.46 107.3 15.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.28 -34.04 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.83 134.3 48.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 62' ' ' VAL . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 23' ' ' LEU . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 21' ' ' LEU . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.695 HD12 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' N ' HG22 ' A' ' 28' ' ' ILE . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' A' ' 47' ' ' ALA . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' ILE . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.98 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 21' ' ' LEU . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 HG12 ' A' ' 71' ' ' VAL . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 93' ' ' GLY . 2.5 pt? -37.1 -37.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' H ' HD23 ' A' ' 92' ' ' LEU . . . 174.59 159.63 21.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.96 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.07 176.34 51.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.3 -117.95 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t 64.78 41.37 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.71 -79.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 152.89 69.51 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -145.56 148.7 33.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -91.68 19.31 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -61.88 90.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -40.61 -44.09 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 132.68 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -114.23 125.71 54.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -166.98 118.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -64.63 -152.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 ptp180 34.58 38.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 146.02 88.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.56 45.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -101.18 100.83 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -85.83 -25.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.84 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 92' ' ' LEU . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' HG3' ' A' ' 60' ' ' ARG . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.805 HD23 HD11 ' A' ' 23' ' ' LEU . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 HD23 ' A' ' 21' ' ' LEU . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 27' ' ' GLU . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' ILE . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 57' ' ' HIS . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 61' ' ' PHE . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 18' ' ' ILE . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 59' ' ' VAL . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.807 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 9.5 mm100 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.539 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 63' ' ' PRO . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -50.46 -49.61 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.889 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 158.2 163.02 12.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -39.89 108.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.54 -161.33 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.81 131.25 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -88.45 33.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.5 -161.46 33.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 t -92.45 127.62 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 136.64 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -107.99 167.99 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -122.7 -47.76 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.11 -98.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 40.37 42.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -115.16 153.7 30.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 170.53 29.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -53.63 137.86 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -137.48 158.33 72.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.2 Cg_endo -69.71 -179.09 2.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 m -99.55 94.99 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.91 -36.85 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.42 173.72 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' N ' HG22 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 62' ' ' VAL . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 71' ' ' VAL . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 75' ' ' TYR . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.477 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 47' ' ' ALA . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CB ' HG21 ' A' ' 37' ' ' VAL . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 18' ' ' ILE . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CB ' HG21 ' A' ' 15' ' ' VAL . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 21' ' ' LEU . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD2' HG23 ' A' ' 28' ' ' ILE . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 93' ' ' GLY . 1.2 tt -49.36 -56.41 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.829 ' N ' HD23 ' A' ' 92' ' ' LEU . . . -143.21 144.97 14.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -86.58 124.55 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.54 152.89 8.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.3 -102.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 m 55.45 42.38 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.11 82.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.22 4.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 p 42.18 39.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p -120.91 126.71 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.589 HG23 ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 21' ' ' LEU . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.52 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 57' ' ' HIS . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 49' ' ' ILE . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG13 ' HB1' ' A' ' 47' ' ' ALA . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' HG23 ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.509 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG23 ' A' ' 88' ' ' THR . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.509 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 73' ' ' VAL . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 HG12 ' A' ' 71' ' ' VAL . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.682 HG23 HG22 ' A' ' 68' ' ' VAL . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 63' ' ' PRO . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' HG13 ' A' ' 15' ' ' VAL . 1.8 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.848 0.356 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.71 HG13 ' HB2' ' A' ' 92' ' ' LEU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.704 HD13 HG22 ' A' ' 62' ' ' VAL . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 29' ' ' ASN . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.433 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' CG ' ' A' ' 61' ' ' PHE . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 44' ' ' VAL . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 38' ' ' THR . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 57' ' ' HIS . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.487 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CG ' HG21 ' A' ' 37' ' ' VAL . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.704 HG22 HD13 ' A' ' 18' ' ' ILE . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.637 ' O ' HG11 ' A' ' 89' ' ' VAL . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.609 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' GLN . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB2' HG13 ' A' ' 15' ' ' VAL . 4.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.882 0.372 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 92' ' ' LEU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 25' ' ' ILE . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 23' ' ' LEU . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 75' ' ' TYR . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 44' ' ' VAL . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 38' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.864 HG22 HG23 ' A' ' 88' ' ' THR . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 28' ' ' ILE . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.864 HG23 HG22 ' A' ' 68' ' ' VAL . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 63' ' ' PRO . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.779 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 65' ' ' GLU . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 60' ' ' ARG . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG13 ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.49 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.821 HG13 ' HB1' ' A' ' 47' ' ' ALA . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.574 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 18' ' ' ILE . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.691 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.705 ' O ' HG11 ' A' ' 89' ' ' VAL . 10.5 mm-40 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' CB ' HG21 ' A' ' 15' ' ' VAL . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 49.7 m-70 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 92' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 61' ' ' PHE . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG12 ' HD2' ' A' ' 61' ' ' PHE . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 37' ' ' VAL . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.3 mm-40 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 88' ' ' THR . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.537 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 35' ' ' ALA . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 32.1 m-70 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.512 HG23 HG22 ' A' ' 68' ' ' VAL . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 63' ' ' PRO . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.7 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 92' ' ' LEU . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 23' ' ' LEU . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD12 HD23 ' A' ' 21' ' ' LEU . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 28' ' ' ILE . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 25' ' ' ILE . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 50' ' ' VAL . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' OE2' ' A' ' 48' ' ' GLU . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG13 ' HB1' ' A' ' 47' ' ' ALA . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 14.4 mm-40 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 88' ' ' THR . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 68' ' ' VAL . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 63' ' ' PRO . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 28' ' ' ILE . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 25' ' ' ILE . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 7.6 p30 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 47' ' ' ALA . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.538 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' A' ' 15' ' ' VAL . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 HG23 ' A' ' 88' ' ' THR . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 73' ' ' VAL . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 71' ' ' VAL . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.461 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.407 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 29.2 m-70 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.652 HG23 HG22 ' A' ' 68' ' ' VAL . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 63' ' ' PRO . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.881 0.372 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 62' ' ' VAL . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.981 HG21 HD12 ' A' ' 28' ' ' ILE . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.981 HD12 HG21 ' A' ' 25' ' ' ILE . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 28' ' ' ILE . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 18' ' ' ILE . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.849 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.514 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 88' ' ' THR . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 73' ' ' VAL . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG23 HG12 ' A' ' 71' ' ' VAL . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CE1' HG23 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HB2' ' A' ' 63' ' ' PRO . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 15' ' ' VAL . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.57 ' N ' HG22 ' A' ' 14' ' ' THR . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' HD2' ' A' ' 60' ' ' ARG . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' ILE . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.465 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 18' ' ' ILE . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 88' ' ' THR . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 HG23 ' A' ' 73' ' ' VAL . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 71' ' ' VAL . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 83' ' ' SER . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HB2' HG22 ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.457 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' PRO . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 6.3 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.537 HG23 ' HG3' ' A' ' 60' ' ' ARG . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 28' ' ' ILE . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 25' ' ' ILE . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.569 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 57' ' ' HIS . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 12.8 m-70 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HG3' HG23 ' A' ' 18' ' ' ILE . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 37' ' ' VAL . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 18' ' ' ILE . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 15' ' ' VAL . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 88' ' ' THR . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 83' ' ' SER . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 68' ' ' VAL . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 63' ' ' PRO . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HA ' HG22 ' A' ' 14' ' ' THR . 7.1 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.874 0.369 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' VAL . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 HG11 ' A' ' 71' ' ' VAL . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 28' ' ' ILE . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.65 ' H ' HG22 ' A' ' 25' ' ' ILE . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.617 HG22 HD13 ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.75 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HB3' HG21 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.667 HG22 HG23 ' A' ' 88' ' ' THR . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 21' ' ' LEU . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD1' HG23 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.546 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 68' ' ' VAL . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 63' ' ' PRO . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.0 pt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG22 ' HG3' ' A' ' 33' ' ' MET . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG3' HG22 ' A' ' 28' ' ' ILE . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB ' ' A' ' 44' ' ' VAL . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 38' ' ' THR . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 47' ' ' ALA . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.701 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.474 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 63' ' ' PRO . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.86 HG21 ' HG2' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 62' ' ' VAL . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.054 HG21 HD12 ' A' ' 28' ' ' ILE . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.054 HD12 HG21 ' A' ' 25' ' ' ILE . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 57' ' ' HIS . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 18' ' ' ILE . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.5 mm-40 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.86 ' HG2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.611 ' CD1' HG23 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 83' ' ' SER . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 63' ' ' PRO . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 92' ' ' LEU . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 28' ' ' ILE . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.709 HG23 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CG ' ' HB3' ' A' ' 29' ' ' ASN . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 61' ' ' PHE . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.477 HG23 ' HB ' ' A' ' 44' ' ' VAL . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 38' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.428 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.744 ' O ' HG11 ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 88' ' ' THR . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 84' ' ' PRO . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.709 ' CE1' HG23 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' HB2' HG22 ' A' ' 70' ' ' THR . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 68' ' ' VAL . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.663 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.4 pt? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' VAL . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' THR . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 23' ' ' LEU . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 21' ' ' LEU . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 25' ' ' ILE . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 24' ' ' LYS . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HD2' HG21 ' A' ' 18' ' ' ILE . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.451 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.819 HG22 HG23 ' A' ' 88' ' ' THR . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 84' ' ' PRO . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.509 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 HG22 ' A' ' 68' ' ' VAL . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 15' ' ' VAL . 3.5 pp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 15' ' ' VAL . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.754 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 73' ' ' VAL . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 HG12 ' A' ' 71' ' ' VAL . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.56 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.754 HG21 ' HB2' ' A' ' 63' ' ' PRO . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 pp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 62' ' ' VAL . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.51 ' N ' HG22 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.779 ' OE2' HG22 ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.779 HG22 ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 18' ' ' ILE . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.81 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.607 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 88' ' ' THR . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.622 ' HB3' HG22 ' A' ' 80' ' ' VAL . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 68' ' ' VAL . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.81 HG21 ' HB2' ' A' ' 63' ' ' PRO . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' A' ' 15' ' ' VAL . 7.5 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 62' ' ' VAL . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 23' ' ' LEU . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 21' ' ' LEU . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.695 HD12 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' N ' HG22 ' A' ' 28' ' ' ILE . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' A' ' 47' ' ' ALA . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' ILE . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.98 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 21' ' ' LEU . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 HG12 ' A' ' 71' ' ' VAL . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' PRO . 2.5 pt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.859 0.362 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 92' ' ' LEU . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' HG3' ' A' ' 60' ' ' ARG . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.805 HD23 HD11 ' A' ' 23' ' ' LEU . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 HD23 ' A' ' 21' ' ' LEU . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 27' ' ' GLU . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' ILE . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 57' ' ' HIS . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 61' ' ' PHE . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 18' ' ' ILE . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 59' ' ' VAL . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.807 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.6 mm-40 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.539 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 63' ' ' PRO . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' N ' HG22 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 62' ' ' VAL . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 71' ' ' VAL . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 75' ' ' TYR . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.477 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 47' ' ' ALA . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CB ' HG21 ' A' ' 37' ' ' VAL . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 18' ' ' ILE . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CB ' HG21 ' A' ' 15' ' ' VAL . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 21' ' ' LEU . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD2' HG23 ' A' ' 28' ' ' ILE . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 92' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -75.37 168.46 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -89.18 37.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -129.44 8.69 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -143.58 149.01 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -93.47 65.65 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.58 -104.6 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.62 158.79 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.02 144.78 5.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.0 2.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 p -85.85 109.01 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.66 -30.39 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.18 163.42 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m -118.13 150.46 39.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.5 p -83.04 133.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.57 -41.34 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 m -73.7 139.69 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.589 HG23 ' HG3' ' A' ' 60' ' ' ARG . 43.5 mm -53.38 123.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.9 t -99.09 115.13 28.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -101.37 132.81 46.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -102.48 112.47 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -79.9 102.82 9.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 21' ' ' LEU . 64.3 mt -122.51 129.73 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -127.0 94.16 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.05 94.11 28.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.33 37.41 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.96 -6.52 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 29' ' ' ASN . 48.3 mt -139.54 158.03 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.52 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.5 m120 -107.04 151.59 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -69.4 -12.78 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -85.63 -8.73 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.5 22.28 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.5 mtp -106.39 163.65 12.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 p -150.43 136.95 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.8 146.0 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -151.53 123.24 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 108.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.2 m -91.47 132.83 35.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -95.36 152.0 39.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -5.88 17.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.8 p -95.16 -16.46 22.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.51 6.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -119.3 119.6 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -121.26 139.39 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 p -125.49 175.5 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.04 126.74 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -88.07 157.22 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -103.22 137.45 41.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 57' ' ' HIS . 56.1 mt -106.31 103.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.3 t -89.42 138.76 28.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.747 . . . . 0.0 111.123 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.0 Cg_endo -69.76 101.74 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.3 mmt -80.36 -39.78 27.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.47 -115.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ASN . 8.6 mptt -83.01 116.31 22.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER 36.89 37.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -111.98 123.82 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' HB3' HG23 ' A' ' 49' ' ' ILE . 28.0 m-70 -114.17 130.69 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 35.1 t -112.03 102.03 10.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG13 ' HB1' ' A' ' 47' ' ' ALA . 58.2 t -83.25 95.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' HG23 ' A' ' 18' ' ' ILE . 28.1 ttt180 -85.86 123.89 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 12.1 p90 -156.66 151.94 26.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.0 t -102.63 104.12 36.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.76 -175.21 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.509 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 25.2 mm-40 -117.26 171.43 7.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -83.1 128.46 34.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.8 mmt 52.62 34.94 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -125.5 126.02 5.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG23 ' A' ' 88' ' ' THR . 18.2 t -90.22 116.12 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.128 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.509 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 2.3 m80 -108.18 158.98 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -121.93 129.97 52.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 73' ' ' VAL . 38.5 t -91.38 107.93 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -90.8 108.82 20.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 HG12 ' A' ' 71' ' ' VAL . 46.7 t -119.64 108.1 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.0 mttp -109.43 157.86 18.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -140.13 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 55.66 25.75 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.01 31.33 23.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -153.73 116.79 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 39.0 m-70 -47.33 140.51 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.9 m -80.09 162.12 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -54.67 124.03 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.35 -49.05 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.2 t -60.21 153.03 59.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 156.15 92.96 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 73.5 m-85 -106.14 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -93.46 136.13 34.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 45.3 p90 -143.05 140.08 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.682 HG23 HG22 ' A' ' 68' ' ' VAL . 37.6 m -96.63 131.68 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 63' ' ' PRO . 8.4 t -90.24 140.62 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.182 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.22 -157.1 11.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.525 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 144.5 54.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' HB3' HG13 ' A' ' 15' ' ' VAL . 1.8 pt? -62.62 -28.15 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.85 143.71 13.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.71 89.61 7.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.06 152.8 24.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.1 87.88 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -144.4 133.98 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.824 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 166.66 145.18 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 176.68 6.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t -98.13 90.55 4.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.7 t -92.27 -62.89 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -132.78 167.85 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -49.92 154.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.78 91.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -153.15 171.72 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -95.82 84.99 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.95 -92.73 2.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.69 37.33 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 141.25 41.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.59 10.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.1 p -151.91 128.19 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.43 -26.16 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -171.73 162.55 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 44.4 m -132.32 144.25 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.71 HG13 ' HB2' ' A' ' 92' ' ' LEU . 8.8 p -74.36 132.59 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.18 -41.05 2.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -81.55 145.3 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.704 HD13 HG22 ' A' ' 62' ' ' VAL . 20.1 mm -58.67 133.91 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.6 t -95.69 115.86 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.7 132.59 36.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 11.3 tp -108.25 138.24 44.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -104.23 101.18 10.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.8 mt -132.21 128.88 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -124.72 96.51 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.42 93.85 24.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.662 0.744 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.81 -32.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 29' ' ' ASN . 16.7 mt -115.72 165.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.622 ' N ' HG22 ' A' ' 28' ' ' ILE . 29.8 m-20 -108.47 172.84 6.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -88.25 -9.03 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -84.92 -28.48 25.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -96.3 5.01 51.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.433 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 32.3 mtm -106.22 154.21 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -152.68 123.03 7.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -104.81 145.78 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.089 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.9 118.09 14.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG21 ' CG ' ' A' ' 61' ' ' PHE . 79.2 t -86.43 100.44 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 44' ' ' VAL . 3.2 m -89.16 131.84 35.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -92.88 159.6 35.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -11.31 30.58 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -87.59 -18.34 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.39 14.92 10.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -111.93 121.51 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.388 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 38' ' ' THR . 4.1 p -118.01 150.31 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.84 -178.36 4.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -104.34 131.15 52.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.51 160.37 14.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -107.82 142.85 37.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 57' ' ' HIS . 95.0 mt -106.75 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.0 t -72.92 136.08 80.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.74 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.69 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.487 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.8 mmm -59.56 -52.85 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 151.74 -116.82 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' ASN . 28.3 tttt -51.88 91.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' LYS . 1.4 p30 36.05 44.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -116.19 140.32 49.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 13.4 m-70 -126.03 136.1 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.487 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 8.9 t -128.39 115.47 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.1 128.35 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -120.54 123.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CG ' HG21 ' A' ' 37' ' ' VAL . 5.3 p90 -157.03 156.7 33.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.704 HG22 HD13 ' A' ' 18' ' ' ILE . 14.9 t -99.55 103.17 19.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.67 0.748 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.75 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.637 ' O ' HG11 ' A' ' 89' ' ' VAL . 17.6 mm-40 -115.08 172.96 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.609 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.9 pt-20 -93.09 131.73 37.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt 56.75 52.28 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.05 135.71 5.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.1 t -94.24 119.45 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 10.9 m80 -103.29 165.62 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -132.51 118.66 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.3 t -89.24 105.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.3 m -99.37 107.75 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.27 106.01 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -102.3 160.91 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.0 t80 -138.22 127.57 24.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 6.9 mtp-105 39.53 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' TYR . . . 89.6 36.43 7.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.6 pt20 -150.79 125.93 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -68.04 126.81 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 83' ' ' SER . 14.7 m -65.35 159.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.2 m -60.66 130.56 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.03 -30.13 7.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -78.84 153.65 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 110.881 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.87 93.21 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.323 0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.98 110.16 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.45 138.26 32.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -148.37 143.02 26.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.8 m -99.53 132.48 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' GLN . 96.1 t -78.79 132.95 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.01 -157.79 21.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 140.74 43.77 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB2' HG13 ' A' ' 15' ' ' VAL . 4.9 tp -57.4 -49.53 75.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.25 126.17 0.81 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.58 107.74 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.49 -168.7 18.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.69 122.23 4.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -173.0 113.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 147.95 13.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -38.94 7.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 43.0 t -99.68 165.97 11.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -74.02 90.79 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -52.93 135.68 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -135.67 162.38 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.28 -129.82 1.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -159.54 163.87 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -72.24 119.85 17.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.79 -86.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 156.89 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.841 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.95 145.3 97.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 171.53 14.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.624 2.216 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.0 p -127.29 131.01 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 13' ' ' ALA . 34.2 m -93.51 -41.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -125.36 156.56 38.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.1 m -117.45 149.4 40.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 92' ' ' LEU . 11.1 p -81.08 134.67 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.66 -42.87 2.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 t -75.71 159.37 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 46.0 mm -65.28 145.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 52.8 t -114.46 97.63 6.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -80.14 118.91 22.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.19 131.95 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -94.41 101.59 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 25' ' ' ILE . 15.1 mt -125.75 132.69 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -131.0 82.02 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 23' ' ' LEU . 6.0 mt -121.06 94.52 48.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -11.95 31.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.32 -16.64 48.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 75' ' ' TYR . 83.2 mt -131.64 135.19 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.31 149.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -58.98 -12.94 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.8 p -69.65 -34.73 74.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -111.71 25.54 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 40.1 mtp -102.52 154.25 19.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.1 m -152.56 110.85 3.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.95 152.8 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 50.2 m80 -147.71 126.46 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.5 t -87.87 100.78 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 44' ' ' VAL . 2.2 m -87.45 125.87 34.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -87.69 158.83 50.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.738 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -9.66 26.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.5 p -91.1 -21.89 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.32 15.38 7.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.34 118.85 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 38' ' ' THR . 3.3 p -117.14 141.31 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -126.42 -179.98 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -97.62 138.19 35.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.82 163.39 12.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -105.3 138.27 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.17 101.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.9 t -72.57 133.82 82.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.147 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.9 Cg_endo -69.78 96.76 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.1 mtp -71.46 -60.73 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.22 -99.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -112.71 -62.44 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -114.69 42.59 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -133.61 135.36 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 7.5 m-70 -126.0 141.23 52.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 t -128.37 102.24 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.8 t -84.09 120.95 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 28.1 mtm180 -113.64 125.46 54.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 19' ' ' CYS . 32.0 p90 -155.14 164.81 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.3 t -111.74 99.87 46.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 -176.16 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 30.0 mm-40 -110.47 172.91 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 14.9 pt-20 -89.23 133.44 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.7 mmt 54.69 53.6 10.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -151.79 134.33 4.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.864 HG22 HG23 ' A' ' 88' ' ' THR . 74.7 t -91.99 116.6 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 16.3 m80 -105.25 160.89 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -131.59 130.16 41.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 t -90.14 105.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m -89.41 103.99 16.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.87 107.69 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.3 mttp -112.87 152.82 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 28' ' ' ILE . 69.0 t80 -135.73 106.63 6.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 62.91 25.95 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.42 35.59 9.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -152.49 125.71 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -66.69 127.5 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.47 175.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -67.17 137.15 56.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.24 -35.52 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.5 p -79.87 153.91 75.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.76 153.83 93.08 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.299 -0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.92 109.06 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -91.18 143.18 26.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -153.39 140.19 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.864 HG23 HG22 ' A' ' 68' ' ' VAL . 19.7 m -101.36 128.62 47.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 63' ' ' PRO . 60.1 t -78.89 139.19 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.97 -157.32 11.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.4 47.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.779 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.1 pt? -59.08 -20.51 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.43 55.96 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.44 169.34 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 171.49 -47.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -153.27 151.66 23.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.4 p -110.1 -49.19 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.62 138.23 5.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 97.19 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t -97.58 130.08 44.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.8 t -86.11 -46.4 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -159.68 151.82 20.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -153.63 167.69 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.78 126.11 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.41 179.36 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -111.61 160.12 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 -139.27 5.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -174.73 110.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.47 144.35 28.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 104.65 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -56.24 96.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 13' ' ' ALA . 27.2 m -57.26 -46.39 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -93.34 149.68 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 15' ' ' VAL . 18.4 m -112.64 157.8 20.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' A' ' 65' ' ' GLU . 8.0 p -83.14 131.08 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.5 -39.94 2.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 m -70.6 120.74 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.365 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 60' ' ' ARG . 45.4 mm -37.73 130.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -107.73 119.83 40.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.59 145.92 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -121.4 120.31 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 109.21 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.59 114.93 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -121.15 91.28 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mt -128.31 94.32 36.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.151 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -5.59 16.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -78.65 -33.2 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 75' ' ' TYR . 11.4 mt -119.78 144.86 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -82.2 161.09 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.82 -17.99 60.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -86.1 -29.5 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -89.5 1.62 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.545 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 50.3 mtp -97.1 161.76 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.5 m -154.8 110.56 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -103.39 140.37 37.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -137.21 115.47 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 61' ' ' PHE . 93.2 t -83.1 103.56 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -89.2 137.31 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -97.4 156.92 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.48 18.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.2 p -93.46 -18.42 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.7 19.91 7.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -117.71 120.03 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.94 147.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.44 -178.21 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 47' ' ' ALA . 22.2 tp10 -95.83 149.04 21.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.821 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -112.21 139.02 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.78 127.56 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.53 101.52 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG13 ' HD2' ' A' ' 51' ' ' PRO . 22.5 t -94.12 136.54 23.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.49 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.1 Cg_endo -69.74 110.41 2.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 31.8 mtp -78.27 -41.7 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.41 -112.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' ASN . 1.9 mmmp? -73.29 104.52 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER 35.96 53.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 27.7 m -112.14 153.66 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -129.57 128.67 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.484 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 46.9 t -120.68 107.06 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.821 HG13 ' HB1' ' A' ' 47' ' ' ALA . 36.5 t -89.05 109.68 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.574 ' HG3' HG23 ' A' ' 18' ' ' ILE . 11.4 ttt-85 -110.68 123.28 49.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.7 p90 -155.12 163.93 39.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 18' ' ' ILE . 41.7 t -104.02 105.46 48.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.691 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.72 -178.1 2.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.705 ' O ' HG11 ' A' ' 89' ' ' VAL . 10.5 mm-40 -107.32 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' CB ' HG21 ' A' ' 15' ' ' VAL . 5.7 pt-20 -82.17 138.64 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 65' ' ' GLU . 2.1 mpp? 34.17 53.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.4 127.13 3.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.25 115.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.144 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.454 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.3 m80 -102.79 176.57 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.07 121.52 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -89.23 105.87 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -89.35 109.13 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.3 t -119.23 108.0 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 23.3 mtmt -120.38 149.43 42.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG23 ' A' ' 28' ' ' ILE . 12.1 t80 -127.36 109.8 12.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 59.52 32.13 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.05 39.12 13.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -153.04 114.23 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 49.7 m-70 -63.68 131.98 49.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.8 m -73.77 168.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -59.39 131.54 51.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.58 -37.57 3.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 3.9 t -71.95 148.58 92.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.76 160.57 87.81 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 -1.806 . . . . 0.0 112.377 -0.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -106.7 120.47 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -99.4 135.52 40.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -146.04 136.62 24.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.2 m -94.6 140.01 30.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 64' ' ' GLN . 95.1 t -100.4 139.4 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.07 -158.74 13.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.61 61.07 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 92' ' ' LEU . 2.1 pt? -50.02 -31.14 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.61 -148.28 5.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -147.08 141.77 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.61 166.62 34.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.95 111.34 1.09 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.1 m -117.66 102.09 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.74 148.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.64 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 p -114.8 103.38 10.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.0 p -113.44 93.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -145.3 140.51 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -113.97 -55.8 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 97.27 2.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -105.49 151.73 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -138.56 150.19 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 123.87 147.89 7.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.9 tpp85 -34.25 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 152.87 10.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.523 0.678 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.16 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 p -64.04 98.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -104.2 -17.03 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.39 163.62 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.7 m -121.96 144.75 48.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.2 p -75.61 134.43 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 -43.61 2.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -73.87 148.83 41.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mm -61.72 139.26 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -108.03 126.4 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -102.27 131.78 48.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -108.64 126.52 53.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -84.09 100.47 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.77 135.95 50.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -144.91 118.76 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mt -150.68 104.95 3.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.11 21.23 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -70.56 -29.03 65.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.3 mt -110.71 134.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -92.95 136.57 33.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.7 p -50.7 -36.32 35.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.8 p -63.1 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.2 24.1 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.4 mtm -114.32 162.2 16.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 m -156.21 117.55 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -116.19 152.45 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -148.05 127.46 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 61' ' ' PHE . 97.9 t -89.38 102.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 m -89.14 133.32 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -90.45 159.18 42.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.94 -21.76 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.74 15.57 5.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -106.96 113.69 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.45 137.91 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.16 169.98 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.54 128.73 37.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.84 156.33 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -104.03 134.7 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.9 mt -101.81 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 51' ' ' PRO . 57.5 t -72.36 137.74 81.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.81 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.4 mtt -106.34 -34.33 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.93 -157.16 17.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.2 -55.82 27.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 110.939 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -120.28 34.08 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -118.01 145.63 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -148.13 144.42 27.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.94 138.15 50.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG12 ' HD2' ' A' ' 61' ' ' PHE . 40.6 t -110.11 114.97 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -106.98 126.72 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CG ' HG21 ' A' ' 37' ' ' VAL . 31.3 p90 -156.58 158.77 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.8 t -102.84 100.96 18.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.685 0.755 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.66 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.3 mm-40 -114.73 172.8 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 15' ' ' VAL . 8.7 pt-20 -82.82 134.84 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.9 mmt 44.84 47.66 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.32 137.45 8.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 88' ' ' THR . 11.2 t -96.37 118.64 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.537 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.5 m80 -108.03 158.71 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.1 m -126.63 129.36 48.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.02 106.45 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -91.32 101.54 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 35' ' ' ALA . 50.8 t -110.39 99.42 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 22.9 mttt -100.77 158.37 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -137.43 105.49 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 58.46 38.47 25.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.72 38.74 42.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -157.91 108.7 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.46 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 32.1 m-70 -54.43 134.35 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.19 177.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.7 t -69.35 133.63 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 -26.55 8.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 5.8 t -91.54 147.89 36.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.6 Cg_endo -69.76 145.77 80.33 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.372 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -93.84 110.49 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -88.79 139.19 30.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 41.5 p90 -149.96 147.83 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.512 HG23 HG22 ' A' ' 68' ' ' VAL . 27.4 m -108.22 138.67 44.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 63' ' ' PRO . 26.7 t -94.94 140.66 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.69 -156.84 13.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.72 54.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.292 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 92' ' ' LEU . 1.7 pp -51.41 -20.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.31 -127.56 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.47 147.73 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.51 161.27 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.28 141.73 11.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 144.27 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.19 -88.89 2.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 174.8 8.99 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -76.3 110.91 11.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 t -69.59 99.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -146.16 146.68 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -107.79 126.46 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 90.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -107.82 156.96 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.3 p -167.55 127.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.83 138.26 5.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -42.51 136.99 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.89 151.2 55.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 177.29 5.7 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.278 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -121.91 124.82 44.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -95.16 -30.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.85 38.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.7 m -95.66 146.87 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG13 ' HB3' ' A' ' 92' ' ' LEU . 14.4 p -76.74 133.8 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 -40.61 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.0 m -74.28 148.14 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -65.63 131.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 4.6 t -103.77 112.0 24.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.52 143.62 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD23 HD12 ' A' ' 23' ' ' LEU . 10.5 tp -110.43 136.56 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.43 102.1 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD12 HD23 ' A' ' 21' ' ' LEU . 8.4 mt -133.93 130.76 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -131.26 98.99 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 28' ' ' ILE . 3.6 mt -127.44 94.4 38.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.95 31.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.668 2.246 . . . . 0.0 112.359 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.23 -15.2 58.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 25' ' ' ILE . 64.2 mt -128.38 149.27 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -97.43 -178.71 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -90.98 -17.23 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -76.72 -36.93 56.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -84.78 -10.97 56.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.2 mtp -88.18 152.0 22.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.8 p -148.33 119.23 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.45 130.17 56.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -124.64 126.15 45.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -84.05 98.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -83.54 138.3 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 p -102.18 154.05 37.64 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.32 18.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -95.75 -12.87 24.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.45 18.49 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -115.67 122.89 46.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.33 134.79 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -121.06 -178.0 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -100.36 136.78 39.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -100.83 162.97 12.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 50' ' ' VAL . 32.4 tt0 -106.48 132.13 52.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 57' ' ' HIS . 89.9 mt -101.63 89.29 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' OE2' ' A' ' 48' ' ' GLU . 61.0 t -66.59 128.17 93.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.57 0.7 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.1 mmm -74.23 -1.88 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.62 -108.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -111.87 -70.79 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -102.05 34.54 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 m -122.17 126.88 49.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' HB3' HG23 ' A' ' 49' ' ' ILE . 5.3 m-70 -121.68 125.26 46.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.6 t -117.14 122.89 45.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG13 ' HB1' ' A' ' 47' ' ' ALA . 70.7 t -100.87 106.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -104.47 126.95 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.0 p90 -155.67 160.94 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.01 102.69 25.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 172.96 11.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 14.4 mm-40 -102.6 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -83.1 144.75 29.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 36.89 49.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.92 141.69 12.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 88' ' ' THR . 60.6 t -103.55 114.67 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.01 167.69 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -132.89 125.17 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.54 104.36 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.7 107.82 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 t -117.31 98.42 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 36.8 mttt -110.01 147.71 33.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 28' ' ' ILE . 35.7 t80 -132.92 119.62 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 59.14 30.33 20.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.2 36.25 40.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -156.09 119.23 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 21.0 m-70 -59.02 140.83 55.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.6 -177.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -67.82 125.97 27.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.8 -43.62 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 6.2 t -67.9 147.74 98.48 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.653 0.739 . . . . 0.0 110.879 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.4 Cg_endo -69.71 151.63 91.47 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.36 -0.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -101.19 111.21 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -94.64 138.43 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 7.1 p90 -147.23 145.13 29.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 68' ' ' VAL . 41.2 m -103.54 139.1 39.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 63' ' ' PRO . 14.0 t -99.6 146.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.24 -158.14 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.36 64.89 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -62.71 -36.4 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.15 127.16 8.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -87.91 161.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.16 72.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 40.22 -149.34 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -134.93 101.32 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.03 142.4 16.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.37 37.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t 51.28 25.75 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -63.93 -26.46 68.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 28.3 p -153.83 118.97 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m -34.6 -60.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.79 -136.88 13.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -105.14 150.09 25.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -38.66 -53.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.08 39.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -133.45 155.74 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.03 144.19 29.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -101.56 106.4 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG23 ' N ' ' A' ' 13' ' ' ALA . 27.4 m -76.69 -46.1 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -117.58 156.59 27.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 43.8 m -116.91 153.43 32.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -81.8 134.63 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.3 -39.21 2.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -72.63 145.88 46.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 23.8 mm -62.14 116.8 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 6.9 t -90.18 131.34 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -117.43 133.9 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 21' ' ' LEU . 12.0 tp -101.29 129.66 47.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.12 101.61 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.34 158.33 41.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -158.16 109.1 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 28' ' ' ILE . 2.4 mt -130.98 93.93 29.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -13.37 34.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.51 -10.17 44.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 25' ' ' ILE . 63.4 mt -120.8 154.76 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 m120 -108.81 140.31 42.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -63.6 -14.26 49.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -83.13 -10.68 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -124.88 14.33 8.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 49.7 mtp -98.11 158.65 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.4 m -152.54 125.22 8.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.16 152.15 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -152.11 139.37 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.13 103.17 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 m -84.79 130.12 34.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -92.52 154.47 42.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -5.63 16.66 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 p -93.8 -14.52 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.61 18.97 9.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 -120.76 121.86 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 p -118.8 136.75 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -115.19 177.69 4.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.46 129.25 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -93.1 150.74 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -92.73 147.29 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mt -114.58 104.81 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.6 t -95.38 132.88 26.82 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.5 Cg_endo -69.77 121.88 8.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.9 mtm -87.85 -72.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.31 -97.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 7.3 tptm -92.41 111.72 23.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 7.6 p30 38.61 50.3 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -133.2 143.9 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -134.37 147.54 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.4 t -123.15 119.37 30.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 47' ' ' ALA . 77.8 t -95.48 98.45 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 9.8 ttp180 -84.61 125.96 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 p90 -157.06 166.82 32.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 t -122.2 108.35 34.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.538 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 -176.13 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.464 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 38.5 mm-40 -117.56 172.88 7.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' A' ' 15' ' ' VAL . 6.9 pt-20 -83.75 128.55 34.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.5 mmt 51.06 50.68 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -144.8 131.06 4.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 HG23 ' A' ' 88' ' ' THR . 4.3 t -93.45 117.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.382 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -104.35 172.03 7.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 m -135.6 133.65 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 73' ' ' VAL . 34.5 t -100.33 105.64 17.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -91.97 99.89 12.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 71' ' ' VAL . 57.4 t -104.19 105.15 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 7.3 mtmm -115.22 155.21 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' CE1' HG23 ' A' ' 28' ' ' ILE . 64.4 t80 -136.36 109.36 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 60.9 27.84 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.13 38.63 7.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -151.03 126.55 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.407 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 29.2 m-70 -75.83 119.41 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.6 m -58.91 163.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.0 m -59.28 124.7 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.01 -39.34 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.8 p -73.07 152.59 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 110.858 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 153.98 93.24 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.341 0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -104.8 116.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -96.74 134.29 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 22.7 p90 -141.95 139.33 32.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.652 HG23 HG22 ' A' ' 68' ' ' VAL . 46.4 m -98.56 137.65 36.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG21 ' HB2' ' A' ' 63' ' ' PRO . 7.0 t -91.21 140.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.4 15.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 139.1 39.57 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 1.3 pp -51.45 -22.9 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.18 -163.83 21.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -110.59 -176.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.83 -139.69 12.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.59 92.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.4 m -108.63 117.03 33.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 166.09 27.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 105.84 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.4 m -70.55 109.88 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.1 p -57.71 157.54 7.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -160.68 163.95 32.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m -156.16 169.5 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.83 164.73 25.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.44 157.4 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -105.6 154.01 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.31 135.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.92 38.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.837 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.46 145.39 63.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.04 6.21 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.743 2.295 . . . . 0.0 112.334 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.4 p -154.62 119.44 4.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.32 -20.35 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.84 158.12 38.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.6 m -114.29 143.54 44.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.2 p -71.94 140.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.11 -41.87 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 m -73.26 136.73 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.677 HD13 HG22 ' A' ' 62' ' ' VAL . 28.8 mm -58.1 134.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 t -100.68 120.29 39.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.52 129.76 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.04 135.46 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -92.37 104.99 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.29 120.76 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -122.88 82.06 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.981 HG21 HD12 ' A' ' 28' ' ' ILE . 9.4 mt -118.5 94.11 46.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -47.8 -31.29 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.981 HD12 HG21 ' A' ' 25' ' ' ILE . 57.7 mt -101.75 143.84 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.64 127.75 34.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.4 p -47.26 -27.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -81.29 -41.34 22.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.02 -21.53 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 28' ' ' ILE . 82.0 mtp -64.84 167.63 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.3 m -157.59 118.99 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.3 150.26 41.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -145.87 130.42 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.07 97.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 m -87.09 125.61 34.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -86.54 158.63 54.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.64 0.733 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.6 p -92.9 -21.6 19.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.31 15.22 7.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 43' ' ' ARG . 16.5 ttm105 -110.74 119.22 38.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -117.95 141.48 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 p -128.19 173.14 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -90.11 132.4 35.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.45 161.08 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -107.9 137.14 46.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.3 98.24 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -76.56 124.77 87.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.21 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.442 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 5.5 mmt -77.45 -45.65 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.95 -131.18 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -46.97 94.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 p30 41.11 42.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.442 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 70.2 m -111.39 123.71 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -117.32 138.94 51.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.9 t -129.26 103.36 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -82.62 112.92 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -106.3 129.37 54.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.4 p90 -155.8 162.95 40.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG22 HD13 ' A' ' 18' ' ' ILE . 30.8 t -112.86 103.22 55.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.849 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.82 -177.44 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.514 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.0 mm-40 -111.6 172.93 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -81.68 130.51 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.15 37.14 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.69 130.44 8.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG22 HG23 ' A' ' 88' ' ' THR . 92.6 t -91.29 112.43 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -105.16 170.03 8.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.8 m -138.93 126.18 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 73' ' ' VAL . 51.0 t -88.96 106.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.1 m -92.65 103.84 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG23 HG12 ' A' ' 71' ' ' VAL . 99.7 t -107.06 99.11 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.1 mttt -107.97 151.98 25.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CE1' HG23 ' A' ' 28' ' ' ILE . 48.1 t80 -138.74 110.96 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 57.85 27.54 14.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.38 38.88 8.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -151.73 126.71 9.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.9 m-70 -73.44 122.36 21.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.2 m -60.66 173.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 m -67.0 118.09 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.13 -44.38 1.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 25.2 p -68.51 151.73 97.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.81 145.01 78.35 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.332 0.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.44 114.25 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -92.51 145.32 24.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 10.8 p90 -152.75 145.13 24.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -106.92 139.01 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HB2' ' A' ' 63' ' ' PRO . 59.2 t -101.55 147.49 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -120.56 -157.66 10.24 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 140.33 42.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.2 pt? -50.59 -19.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.82 153.19 16.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -127.49 57.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.09 165.93 34.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.31 177.04 19.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.468 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 p -109.76 154.08 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.36 -166.49 13.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 91.68 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -99.75 99.67 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -81.87 -58.19 3.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -75.48 90.1 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -51.69 -46.51 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.47 163.31 22.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -163.89 124.33 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 p -150.39 177.39 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.15 63.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.78 51.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.34 145.41 30.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.45 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -98.19 113.0 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.14 -15.6 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.18 152.75 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 15' ' ' VAL . 24.7 m -95.76 165.16 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.57 ' N ' HG22 ' A' ' 14' ' ' THR . 2.9 p -97.6 131.34 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.99 -36.39 2.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -74.56 148.97 40.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' HD2' ' A' ' 60' ' ' ARG . 25.5 mm -57.5 122.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.9 t -99.63 107.91 20.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -95.91 142.9 27.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tp -119.09 111.91 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -83.28 120.93 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.4 mt -127.27 129.75 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.5 ttmt -115.76 91.58 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 2.4 mt -148.48 105.0 3.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.74 -46.87 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.38 -42.39 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 75' ' ' TYR . 16.5 mm -72.16 154.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 28' ' ' ILE . 4.2 m120 -124.87 139.29 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -62.56 -8.38 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.6 t -97.09 -11.43 24.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -124.39 22.12 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 65.1 mtp -103.19 144.83 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -140.23 115.93 10.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.92 139.13 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -142.27 127.09 18.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.1 t -90.28 96.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.9 m -86.78 137.46 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -99.62 153.0 38.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.741 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.47 10.23 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.4 p -100.17 -15.97 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.04 23.39 5.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -119.88 118.75 31.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.79 142.36 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -131.01 176.5 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.78 127.82 45.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.34 161.99 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -98.97 142.3 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -113.9 82.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.24 130.47 94.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 103.11 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.465 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 19.6 mmm -85.26 -47.45 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.16 -163.13 11.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.75 -58.59 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -118.03 41.1 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -128.42 127.26 42.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 6.8 m-70 -120.46 142.05 49.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 3.7 t -124.77 123.0 39.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.56 103.18 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 18' ' ' ILE . 15.0 ttt180 -95.31 123.69 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' SG ' ' A' ' 19' ' ' CYS . 22.8 p90 -154.45 164.03 39.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.41 105.21 55.33 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.563 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.78 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.9 mm-40 -111.52 172.9 6.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.61 130.86 35.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.93 50.61 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.57 129.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 88' ' ' THR . 46.9 t -88.66 113.41 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.2 m80 -102.37 175.64 5.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.6 m -139.6 122.26 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 HG23 ' A' ' 73' ' ' VAL . 97.4 t -90.11 108.59 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.3 m -93.56 104.7 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 71' ' ' VAL . 47.7 t -111.77 103.35 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 18.9 mttp -103.57 158.86 16.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CD1' HG23 ' A' ' 28' ' ' ILE . 86.3 t80 -137.59 112.01 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 53.79 31.96 14.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.67 41.16 13.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -157.54 108.64 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.565 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.4 m-70 -50.32 129.28 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 83' ' ' SER . 10.7 m -74.2 163.53 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 48.3 m -61.31 119.64 8.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.32 -42.23 1.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.1 t -73.9 153.25 88.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.841 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.575 ' HB2' HG22 ' A' ' 70' ' ' THR . 53.5 Cg_endo -69.77 139.55 55.31 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.317 -0.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -87.94 115.27 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -94.13 141.68 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 10.8 p90 -150.9 143.18 24.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.457 HG23 HG22 ' A' ' 68' ' ' VAL . 27.9 m -99.6 142.79 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' PRO . 24.2 t -103.25 143.29 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -122.78 -157.86 10.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 145.02 56.12 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 6.3 tp -47.32 -70.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.81 60.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -54.55 164.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.81 -149.34 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.86 84.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.4 t -124.69 100.7 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.08 150.56 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.39 4.53 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 t -91.73 128.97 37.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 m -92.94 124.06 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -129.36 168.36 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -139.72 161.05 38.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 103.52 2.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -115.1 110.39 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -170.44 147.07 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.18 157.83 7.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -90.76 131.52 36.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -129.35 156.96 77.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.9 Cg_endo -69.76 -172.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -119.98 124.23 45.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 m -106.43 -24.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.11 159.43 14.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -107.84 150.1 27.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 92' ' ' LEU . 11.7 p -86.8 132.69 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.31 -36.79 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -77.37 152.52 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.537 HG23 ' HG3' ' A' ' 60' ' ' ARG . 26.0 mm -65.13 126.4 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 61' ' ' PHE . 42.5 t -97.71 102.1 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -86.84 129.84 34.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 59' ' ' VAL . 12.6 tp -100.67 143.41 30.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.0 104.88 16.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.9 mt -133.28 147.42 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -153.95 109.11 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 28' ' ' ILE . 1.4 mt -133.03 93.71 22.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.89 35.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.302 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.98 -18.38 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 25' ' ' ILE . 34.8 mt -123.27 156.66 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.471 ' N ' HG22 ' A' ' 28' ' ' ILE . 2.6 m-20 -92.06 178.87 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 t -85.56 -36.87 20.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 t -68.99 -29.01 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -83.24 1.67 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.569 ' HE1' ' CD2' ' A' ' 57' ' ' HIS . 7.2 mtm -107.33 156.23 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.39 140.12 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -133.73 120.59 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 61' ' ' PHE . 94.5 t -86.86 106.04 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -88.76 145.34 25.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 155.26 39.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -4.66 14.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.9 p -97.93 -22.48 16.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.53 17.62 5.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -114.66 118.98 35.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.12 147.33 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 p -133.71 168.49 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -96.34 131.04 43.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.43 158.81 15.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -102.57 132.67 48.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 57' ' ' HIS . 80.2 mt -98.3 92.42 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.99 129.26 89.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.643 0.735 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.415 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 13.5 mmt -69.69 -45.81 67.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.55 -175.48 29.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -41.32 -70.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -108.05 33.04 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 m -119.69 134.76 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' CD2' ' HE1' ' A' ' 33' ' ' MET . 12.8 m-70 -132.7 139.98 47.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 1.9 t -126.26 116.26 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 91.8 t -85.74 115.16 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HG3' HG23 ' A' ' 18' ' ' ILE . 18.7 ttp180 -102.93 121.92 43.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' HG21 ' A' ' 37' ' ' VAL . 6.8 p90 -154.14 153.17 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG22 HD13 ' A' ' 18' ' ' ILE . 30.6 t -104.94 110.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 -171.08 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 16.6 mm-40 -119.11 169.46 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 15' ' ' VAL . 13.2 pt-20 -81.78 132.68 35.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.5 mmt 46.71 51.91 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -146.64 135.27 5.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.876 HG22 HG23 ' A' ' 88' ' ' THR . 66.5 t -95.16 117.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.6 m80 -106.04 168.4 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -136.09 129.59 32.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.82 113.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -98.74 94.62 6.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 t -96.51 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 22.5 mttp -109.59 149.82 29.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 28' ' ' ILE . 4.2 t80 -129.1 106.96 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 60.4 29.52 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.29 37.39 15.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -153.09 111.53 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.537 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 24.3 m-70 -52.16 139.47 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HB3' ' A' ' 83' ' ' SER . 14.0 m -81.77 -178.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -67.67 112.3 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.92 -47.95 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.1 t -53.92 146.3 28.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.71 167.34 71.23 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.324 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 61.9 m-85 -119.37 113.29 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -92.91 136.91 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 17.8 p90 -145.65 136.17 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.876 HG23 HG22 ' A' ' 68' ' ' VAL . 7.0 m -94.98 135.71 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 63' ' ' PRO . 5.8 t -93.42 141.5 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.05 -156.91 10.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.47 42.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' HA ' HG22 ' A' ' 14' ' ' THR . 7.1 tp -44.36 -59.87 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 128.39 -118.48 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -44.77 100.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.08 -108.39 2.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -113.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t 62.4 40.23 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.385 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.98 -164.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 p -41.08 116.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -151.35 111.39 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -151.57 133.6 15.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -80.27 -62.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.68 -152.99 20.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -120.63 134.02 55.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -127.94 136.53 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.09 -136.86 5.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -81.36 141.08 34.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.63 149.66 20.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.3 35.08 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -121.18 128.67 52.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 13' ' ' ALA . 28.4 m -85.73 -39.95 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -103.24 145.85 29.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 15' ' ' VAL . 45.9 m -104.81 154.32 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.3 p -77.86 138.0 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.58 -43.58 2.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.3 m -67.98 138.6 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 62' ' ' VAL . 47.5 mm -63.44 128.14 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 34.6 t -93.77 124.75 37.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.74 125.12 50.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD22 HG11 ' A' ' 71' ' ' VAL . 8.0 tp -109.83 104.72 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.46 124.44 32.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.9 119.1 19.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -98.81 96.71 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 28' ' ' ILE . 48.9 mt -145.1 104.97 4.42 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.82 -34.59 14.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -59.94 -48.04 83.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.65 ' H ' HG22 ' A' ' 25' ' ' ILE . 49.7 mt -90.94 150.67 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.17 139.31 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.432 ' HB2' ' CG2' ' A' ' 49' ' ' ILE . 81.4 p -50.66 -46.6 58.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -56.2 -41.1 75.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.44 25.21 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mtm -121.16 171.38 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.1 p -156.66 112.12 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -101.95 139.15 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -133.2 118.63 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 80.7 t -85.15 95.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.4 m -84.81 141.62 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -102.12 154.68 37.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.653 0.74 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -1.01 7.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -105.71 -19.68 13.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.61 26.0 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -117.46 114.39 23.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.07 136.45 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -128.06 168.22 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.82 127.59 35.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -98.13 163.08 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.77 143.76 33.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -109.66 88.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.82 130.35 88.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.436 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 3.7 mmt -62.53 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . 179.53 -123.47 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -47.0 92.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER 36.91 29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 29.7 m -86.62 148.31 25.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -123.75 135.02 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 14.4 t -131.7 108.25 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.41 124.44 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -118.2 124.13 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 3.2 p90 -157.24 160.78 39.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.617 HG22 HD13 ' A' ' 18' ' ' ILE . 41.2 t -105.27 101.48 31.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.75 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.76 179.86 3.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.652 2.235 . . . . 0.0 112.379 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 20.8 mm-40 -107.17 172.78 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HB3' HG21 ' A' ' 15' ' ' VAL . 11.6 pt-20 -82.42 135.88 35.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 42.26 44.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 128.17 6.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.667 HG22 HG23 ' A' ' 88' ' ' THR . 100.0 t -87.44 111.85 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.453 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 4.1 m80 -104.37 177.5 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 m -140.17 125.34 18.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 HD22 ' A' ' 21' ' ' LEU . 60.0 t -93.66 104.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -89.63 113.16 24.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -120.33 97.99 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 6.4 mttm -100.85 154.91 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD1' HG23 ' A' ' 28' ' ' ILE . 41.6 t80 -132.68 96.73 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 62.49 32.53 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.99 35.32 9.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -148.29 126.55 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.546 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 33.3 m-70 -75.88 116.49 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.25 165.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -58.28 123.62 16.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.6 -48.46 1.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 16.4 p -63.68 150.29 90.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.4 Cg_endo -69.83 134.43 29.62 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.348 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 84.6 m-85 -84.61 115.73 22.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -98.54 132.49 43.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 6.5 p90 -139.54 154.72 47.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 68' ' ' VAL . 24.9 m -114.38 128.46 56.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 63' ' ' PRO . 88.1 t -91.02 142.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.34 -156.74 10.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 141.81 46.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.715 2.276 . . . . 0.0 112.32 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 2.0 pt? -50.8 -19.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 141.47 -165.98 26.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -72.78 133.12 44.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.11 -84.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.72 166.2 19.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.4 p -64.34 162.07 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.8 146.66 12.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.93 4.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.8 m -152.45 163.99 38.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -88.07 153.69 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -51.94 103.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -118.72 135.88 54.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.67 165.45 36.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -73.62 143.87 46.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -133.94 171.56 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.98 -149.26 22.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -128.09 120.95 28.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 31.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 148.44 65.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -71.82 105.98 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 m -93.73 -20.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.79 155.17 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.9 m -115.26 149.05 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' GLU . 3.5 p -77.35 135.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -41.98 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -73.35 149.01 42.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -62.01 132.42 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 30.2 t -100.78 103.67 14.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -86.41 118.02 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 tp -95.17 119.59 33.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -81.69 104.37 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -132.78 141.94 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.87 116.44 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.7 mt -151.01 105.57 3.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -40.86 4.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.94 -27.53 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG22 ' HG3' ' A' ' 33' ' ' MET . 40.8 mt -123.74 145.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -103.18 149.54 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 p -61.9 -19.35 62.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -74.36 -22.14 59.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -116.61 15.17 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.472 ' HG3' HG22 ' A' ' 28' ' ' ILE . 67.5 mtp -99.93 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.2 p -154.2 139.54 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.24 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -128.42 125.61 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.74 109.44 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.429 HG23 ' HB ' ' A' ' 44' ' ' VAL . 6.4 m -98.3 136.1 38.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m -96.45 157.01 36.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.27 13.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -97.09 -15.6 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.72 12.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -108.68 118.57 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' HG23 ' A' ' 38' ' ' THR . 2.1 p -117.84 143.53 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.3 p -128.39 -177.3 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.58 129.52 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -92.18 160.48 15.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -112.85 138.54 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mt -109.78 96.3 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 51' ' ' PRO . 86.7 t -66.9 138.5 95.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.4 Cg_endo -69.69 100.84 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.4 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.0 mtt -89.4 -56.26 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.08 -140.83 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -77.2 -59.31 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.11 31.91 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.8 m -115.83 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -134.19 138.42 45.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.54 120.77 27.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 47' ' ' ALA . 60.2 t -96.82 107.87 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -101.98 126.11 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 6.8 p90 -155.13 168.65 26.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.05 99.85 44.6 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.664 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.73 177.82 5.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 27.6 mm-40 -105.75 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.701 ' HB3' HG21 ' A' ' 15' ' ' VAL . 9.1 pt-20 -82.93 131.61 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 45.72 48.32 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -134.85 122.54 2.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.3 t -83.26 111.68 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 67' ' ' GLY . 6.1 m80 -104.12 164.03 11.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 84' ' ' PRO . 1.7 m -125.88 125.91 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.2 t -90.56 106.44 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 p -87.87 119.27 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.28 100.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 79' ' ' HIS . 7.1 mttm -109.67 154.1 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -137.55 105.98 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 62.09 25.69 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.61 41.71 7.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -155.78 117.95 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.474 ' CD2' ' HE2' ' A' ' 74' ' ' LYS . 29.9 m-70 -63.86 125.48 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.57 173.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -58.87 122.86 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -45.48 2.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 48.3 t -57.32 142.66 75.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.604 0.716 . . . . 0.0 110.829 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.1 Cg_endo -69.77 154.53 93.33 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.336 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 84.6 m-85 -105.24 110.11 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -91.34 141.72 28.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 p90 -150.67 138.9 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -97.63 141.97 30.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 63' ' ' PRO . 46.4 t -107.39 139.58 28.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.68 -157.03 15.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.82 58.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 2.4 pt? -52.16 -16.77 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -111.43 3.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.01 104.11 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.48 -149.32 5.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.38 48.37 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -48.95 137.61 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.97 160.35 27.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.4 68.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -81.51 107.68 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.0 p -149.27 143.15 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -113.03 166.56 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 167.12 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.62 -120.07 2.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -121.15 172.39 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 p -118.33 131.32 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.11 -138.84 10.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -80.98 144.05 32.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.06 144.43 31.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 53.6 Cg_endo -69.77 103.18 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' PRO . 57.7 p -35.14 111.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 12' ' ' VAL . 2.7 m -71.75 -15.04 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.73 -177.65 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.5 m -139.68 148.27 42.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.86 HG21 ' HG2' ' A' ' 65' ' ' GLU . 14.6 p -80.66 138.62 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 -38.04 2.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -76.37 141.28 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 62' ' ' VAL . 14.4 mm -62.31 127.24 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t -101.36 112.8 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.69 127.15 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.22 104.66 14.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 118.72 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -132.53 125.11 29.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -111.08 90.84 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.054 HG21 HD12 ' A' ' 28' ' ' ILE . 12.8 mt -133.78 95.23 17.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.676 0.751 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.76 -47.33 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.48 -35.44 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.054 HD12 HG21 ' A' ' 25' ' ' ILE . 30.3 mt -100.19 137.6 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.83 132.16 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -54.26 -21.97 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 m -80.25 -37.11 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.25 -17.76 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 78.5 mtp -68.11 166.08 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.2 m -156.9 114.27 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.13 147.87 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 57.2 m80 -150.02 118.41 6.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.75 97.43 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 m -85.59 150.69 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -111.68 157.3 39.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.75 2.3 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -96.69 -23.8 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.41 25.31 2.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -119.02 118.39 31.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 4.6 p -121.49 144.77 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.2 p -130.83 170.08 14.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 130.37 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.92 162.84 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -104.94 146.25 29.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 57' ' ' HIS . 31.1 mt -111.67 86.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.58 123.39 82.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.72 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mtp -61.18 -58.4 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.07 -115.02 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -84.18 121.7 27.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' LYS . 0.8 OUTLIER 36.06 54.36 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.9 m -130.86 149.28 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.546 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 8.8 m-70 -130.53 141.98 50.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -131.63 105.0 7.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.4 t -84.13 108.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -106.09 121.64 44.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.5 p90 -157.27 157.68 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 18' ' ' ILE . 60.4 t -106.66 103.72 47.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.75 172.44 12.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.53 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.5 mm-40 -108.09 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.86 ' HG2' HG21 ' A' ' 15' ' ' VAL . 3.8 mt-10 -81.82 150.71 27.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 34.96 53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.65 119.74 1.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.87 107.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.5 m80 -96.22 154.8 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 m -121.15 125.48 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.9 104.22 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -90.46 120.37 31.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.11 98.99 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -103.77 148.78 25.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.611 ' CD1' HG23 ' A' ' 28' ' ' ILE . 24.0 t80 -138.36 112.81 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 61.36 25.32 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.89 9.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -157.86 133.59 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -72.39 130.41 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 83' ' ' SER . 33.0 m -66.18 171.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -65.77 109.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.26 -45.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 14.3 p -64.94 152.22 91.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.674 0.75 . . . . 0.0 110.842 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.8 Cg_endo -69.74 163.58 81.41 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.332 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -116.17 110.37 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.89 139.03 31.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 10.9 p90 -148.19 137.25 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 m -93.07 139.33 30.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 63' ' ' PRO . 13.6 t -97.96 138.25 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -116.99 -157.89 10.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.03 39.38 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.5 pt? -49.58 -28.13 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.0 -169.0 42.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -78.24 120.01 22.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.22 144.89 4.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -130.23 -120.92 2.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.6 t 67.47 26.14 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.92 -89.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -13.74 35.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.4 m -51.49 146.07 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t -155.35 110.21 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -67.3 116.08 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -69.76 -57.85 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 178.37 15.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -89.94 154.96 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -115.34 -50.48 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.56 -120.28 3.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -109.81 117.06 32.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.19 153.39 51.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.07 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.8 p -107.38 114.32 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.38 -35.81 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.55 -178.47 5.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -112.77 167.05 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.663 HG12 ' N ' ' A' ' 92' ' ' LEU . 4.1 p -103.2 116.11 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.5 -35.75 3.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.5 m -68.52 153.79 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.88 114.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.28 119.4 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.68 145.4 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tp -110.38 147.28 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -103.63 109.6 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.05 129.07 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -131.49 91.36 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 28' ' ' ILE . 13.0 mt -133.7 94.64 18.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 0.0 111.153 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.06 34.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 15.2 tt0 -84.76 -7.65 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.709 HG23 ' CE1' ' A' ' 75' ' ' TYR . 91.7 mt -126.35 150.29 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.7 t30 -89.93 175.95 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -91.16 -10.19 42.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -99.9 -38.86 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' CG ' ' HB3' ' A' ' 29' ' ' ASN . 1.2 p30 -70.32 -7.37 42.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.0 mtm -83.89 168.56 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 m -158.77 110.41 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -108.52 139.04 43.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.094 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -143.69 117.97 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 61' ' ' PHE . 86.7 t -83.75 96.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.477 HG23 ' HB ' ' A' ' 44' ' ' VAL . 13.8 m -83.12 139.17 33.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -101.28 151.92 37.84 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.75 16.94 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.3 p -97.24 -13.57 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.51 20.66 7.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -118.37 115.77 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 38' ' ' THR . 7.0 p -122.7 145.46 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.09 177.72 7.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.04 129.13 44.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -89.5 163.51 15.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -104.3 140.47 37.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.7 mt -108.48 89.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.33 130.04 78.43 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 114.57 3.73 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.428 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 9.2 mmt -93.3 -20.31 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.88 -126.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -88.03 -70.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.52 25.1 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -107.1 126.31 52.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.97 136.85 52.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.0 t -122.08 111.08 16.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.25 101.34 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -91.74 128.37 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 7.3 p90 -155.59 155.74 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -104.62 106.86 56.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.632 0.729 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HB2' HG21 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.72 -178.83 2.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.744 ' O ' HG11 ' A' ' 89' ' ' VAL . 22.6 mm-40 -116.39 172.05 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -82.8 129.62 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.69 53.02 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.79 130.36 3.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 88' ' ' THR . 67.3 t -90.49 117.61 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 7.6 m80 -109.01 157.63 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 84' ' ' PRO . 2.0 m -122.72 125.23 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.6 t -88.64 106.44 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -89.42 101.36 14.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.8 t -110.34 103.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -108.39 149.41 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.709 ' CE1' HG23 ' A' ' 28' ' ' ILE . 45.3 t80 -130.0 115.43 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 57.65 30.11 18.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.56 29.14 40.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -145.3 125.25 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -68.34 129.81 41.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 m -74.82 176.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -64.53 135.93 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.84 -38.13 3.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 12.8 t -69.78 146.16 95.33 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.815 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' HB2' HG22 ' A' ' 70' ' ' THR . 54.0 Cg_endo -69.78 150.76 90.73 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.381 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.97 113.64 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.96 131.22 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 4.7 p90 -142.8 155.44 44.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 68' ' ' VAL . 9.9 m -108.59 143.06 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 ' O ' ' A' ' 64' ' ' GLN . 46.3 t -92.33 135.57 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.81 -157.79 12.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 93' ' ' GLY . 53.7 Cg_endo -69.78 142.7 48.57 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.663 ' N ' HG12 ' A' ' 15' ' ' VAL . 1.4 pt? -44.84 -22.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 91' ' ' PRO . . . 143.98 -139.61 8.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -104.01 -70.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.08 166.82 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.07 177.93 44.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 t -65.97 135.65 55.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.02 -92.22 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 117.61 5.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -120.79 153.13 37.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -66.06 85.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -92.88 138.65 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -80.8 137.16 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.76 -132.3 4.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -126.46 142.75 51.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -147.17 117.85 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 173.39 111.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 mtt-85 -37.69 106.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 146.76 34.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.03 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -96.26 97.03 9.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.42 -25.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.41 166.75 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' VAL . 28.2 m -122.38 157.37 31.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' THR . 13.0 p -85.62 137.44 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.53 -35.7 2.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -82.4 143.55 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 62' ' ' VAL . 29.5 mm -66.36 125.44 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.0 t -93.66 136.59 33.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.82 121.8 45.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 23' ' ' LEU . 12.2 tp -88.97 151.37 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -105.34 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD11 HD23 ' A' ' 21' ' ' LEU . 40.8 mt -133.66 147.46 51.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 25' ' ' ILE . 9.7 ptpt -154.33 112.48 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 24' ' ' LYS . 10.8 mt -151.33 104.99 2.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' CB ' ' A' ' 55' ' ' ASN . 53.4 Cg_endo -69.7 -29.71 23.72 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.66 -39.21 73.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 75' ' ' TYR . 52.2 mt -103.38 144.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -105.23 -175.18 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -89.38 -12.5 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 m -79.05 -29.96 43.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.3 -7.45 28.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.401 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 58.1 mtp -87.79 156.82 19.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 m -157.45 117.35 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -107.9 141.79 38.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -135.79 122.81 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.28 99.85 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 m -92.59 121.06 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -83.42 158.75 62.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -11.4 30.76 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -87.27 -24.37 24.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.92 18.8 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -113.73 119.01 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -117.39 144.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -136.19 170.83 15.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -90.38 127.59 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -88.3 163.64 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -103.83 132.86 49.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.4 mt -102.51 120.37 52.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.9 127.69 26.51 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.728 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.89 3.21 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.5 mtp -78.34 -66.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.22 -108.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -58.45 88.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER 40.99 32.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -96.67 154.32 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -126.23 150.26 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.2 t -132.62 110.68 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.55 121.6 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HD2' HG21 ' A' ' 18' ' ' ILE . 9.2 mtm180 -117.53 124.44 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 5.2 p90 -156.86 166.25 33.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 18' ' ' ILE . 46.2 t -109.28 102.25 48.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.575 0.702 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.8 -179.82 3.2 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.451 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 34.3 mm-40 -109.07 172.93 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' HB3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -83.84 140.53 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.86 48.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.67 127.57 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.819 HG22 HG23 ' A' ' 88' ' ' THR . 65.0 t -90.77 113.05 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.8 m80 -100.93 177.96 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 84' ' ' PRO . 8.2 m -137.84 136.74 37.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.92 110.34 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.6 m -101.26 109.11 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.66 99.39 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -101.98 156.88 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.509 ' CE1' HG12 ' A' ' 28' ' ' ILE . 29.4 t80 -133.39 106.7 7.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 63.61 26.78 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.14 38.92 7.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.8 pt20 -153.63 125.86 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -70.11 127.38 32.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.74 166.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -60.25 126.75 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.55 -40.09 2.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.543 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 26.0 p -73.59 151.66 89.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.5 Cg_endo -69.8 136.72 40.3 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 83' ' ' SER . 75.4 m-85 -88.53 115.82 26.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -99.12 140.31 33.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 47.0 p90 -142.91 139.68 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.819 HG23 HG22 ' A' ' 68' ' ' VAL . 19.6 m -97.41 127.06 43.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 15.1 t -88.99 137.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.57 -157.6 11.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.09 52.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 15' ' ' VAL . 3.5 pp -48.41 -28.67 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.96 104.79 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.544 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -127.69 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.19 71.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.33 134.02 1.69 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -120.8 133.85 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.64 60.31 1.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -50.2 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -108.34 153.02 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t 61.25 42.19 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -118.06 169.35 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 p -108.96 -58.04 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.38 134.52 4.8 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -66.38 175.73 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -120.45 177.98 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.08 -135.65 30.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -63.3 -175.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.61 152.54 12.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 p -64.25 97.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.8 -24.8 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.08 155.97 45.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 15' ' ' VAL . 66.1 m -105.85 158.64 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 65' ' ' GLU . 7.7 p -83.92 134.4 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.24 -43.28 2.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -67.4 140.44 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 5.7 mm -56.01 132.44 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 44.2 t -101.62 119.9 39.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.5 121.73 43.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 10.9 tp -94.4 138.03 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.31 103.08 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.21 125.61 37.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -132.55 80.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 10.3 mt -111.12 96.2 29.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.73 -14.16 35.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -87.41 -20.7 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -123.49 147.28 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -107.05 158.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -66.26 -29.56 69.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 t -63.69 -28.85 70.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -106.1 22.39 15.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 16.0 mtm -117.84 157.63 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.1 p -151.53 115.13 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -111.21 130.23 55.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CD2' ' OE2' ' A' ' 46' ' ' GLU . 54.4 m80 -128.44 120.16 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.44 103.89 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.7 m -88.58 137.94 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -99.66 152.56 37.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -6.52 18.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.5 p -94.32 -14.18 25.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.92 22.08 7.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -120.69 122.08 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.08 141.93 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.72 177.04 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 3.7 tp10 -92.97 146.01 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . . . -109.97 159.64 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -105.2 135.75 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.2 mt -106.49 87.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 t -68.85 125.37 91.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.406 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 6.0 mmt -71.36 -38.4 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.19 -138.59 2.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.78 -67.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 3.0 p-10 -107.45 34.7 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -122.03 142.89 49.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -137.9 133.87 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 2.8 t -119.01 124.62 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.6 t -101.07 111.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 23.1 mtp180 -104.73 126.26 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 7.4 p90 -153.48 166.21 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.0 t -112.29 98.77 44.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.754 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.4 Cg_endo -69.76 178.62 4.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 21.4 mm-40 -111.45 172.85 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.3 pm0 -82.53 147.62 28.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 4.0 mmt 34.42 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -134.09 124.25 3.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.41 117.15 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 0.8 OUTLIER -105.88 171.53 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG12 HG23 ' A' ' 73' ' ' VAL . 90.5 t -91.11 106.82 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -88.15 108.28 19.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 HG12 ' A' ' 71' ' ' VAL . 45.3 t -119.8 99.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.497 ' HD3' ' CD2' ' A' ' 79' ' ' HIS . 8.0 mtmm -105.64 153.62 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.34 104.33 8.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 53.36 44.36 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.93 32.5 58.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -149.31 106.85 3.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CD2' ' HD3' ' A' ' 74' ' ' LYS . 40.5 m-70 -55.26 130.78 43.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.72 179.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -68.4 133.95 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.4 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.56 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 20.1 t -71.05 145.13 91.02 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.698 0.761 . . . . 0.0 110.836 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 154.34 93.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.331 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 93.7 m-85 -104.42 113.23 26.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.85 133.5 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 p90 -144.22 142.14 30.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 m -105.0 139.68 39.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.754 HG21 ' HB2' ' A' ' 63' ' ' PRO . 40.8 t -95.34 140.98 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.33 -157.0 13.23 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 143.06 49.3 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 pp -55.98 -21.62 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.48 140.13 5.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' GLY . 11.2 pt-20 -64.17 -6.85 7.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' GLU . . . 35.77 -146.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.27 -159.42 28.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t 56.26 51.25 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.13 -94.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -78.06 -51.05 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -51.49 -45.24 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -99.89 150.11 22.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -43.91 136.13 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.81 128.61 9.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -92.17 162.51 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -139.09 146.64 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.1 -72.85 0.31 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -143.2 120.74 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.36 144.08 49.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 122.01 8.71 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -72.52 104.7 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.86 -26.79 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.31 145.63 51.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -109.79 141.19 42.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 65' ' ' GLU . 6.0 p -60.45 137.08 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.39 -46.38 2.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -57.24 125.55 23.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD13 HG22 ' A' ' 62' ' ' VAL . 26.7 mm -52.99 116.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 t -86.41 124.76 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -111.09 119.94 40.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tp -99.51 106.44 18.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.86 124.46 30.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 mt -130.92 141.34 50.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 3.3 ttpp -127.3 89.94 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.5 mt -134.76 94.1 17.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.634 0.731 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.75 24.39 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.48 -20.97 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 29' ' ' ASN . 92.4 mt -113.47 158.3 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.51 ' N ' HG22 ' A' ' 28' ' ' ILE . 71.4 m-20 -120.73 146.34 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -60.24 -24.9 65.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 t -71.78 -25.24 61.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.95 20.3 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -109.43 148.12 31.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.7 m -148.15 112.85 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.98 135.28 53.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -129.34 131.68 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.0 t -92.56 108.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 m -93.3 131.8 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -94.71 156.91 37.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.15 27.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -89.55 -18.84 25.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.92 16.36 8.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -112.81 115.59 28.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 p -115.58 134.49 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -121.2 176.44 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -103.53 128.4 50.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.35 161.37 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.779 ' OE2' HG22 ' A' ' 50' ' ' VAL . 7.0 tm-20 -104.27 138.33 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 57' ' ' HIS . 47.5 mt -100.69 128.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.779 HG22 ' OE2' ' A' ' 48' ' ' GLU . 21.1 t -109.73 125.18 31.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 87.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mtp -61.67 -57.42 12.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -175.26 -125.97 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 56' ' ' SER . 30.5 mttp -41.36 92.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 34.59 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.844 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LYS . 22.9 t -93.81 146.04 24.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 49' ' ' ILE . 7.3 m-70 -126.42 125.29 41.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.5 t -113.07 107.96 16.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.25 115.17 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -104.38 121.89 44.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 4.2 p90 -156.89 159.35 38.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 18' ' ' ILE . 24.1 t -107.53 108.16 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.81 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.9 Cg_endo -69.79 172.41 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 35.1 mm-40 -100.39 172.71 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.607 ' HB3' HG21 ' A' ' 15' ' ' VAL . 1.6 pm0 -82.37 127.3 33.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.27 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -130.59 124.02 4.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.785 HG22 HG23 ' A' ' 88' ' ' THR . 30.4 t -84.91 113.42 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.2 m80 -105.36 163.32 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.67 126.77 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.0 t -89.46 108.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 p -87.75 110.03 20.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.78 98.09 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 33.5 mttt -108.35 152.13 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' ARG . 33.2 t80 -135.69 116.91 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 3.1 mmp_? 54.51 33.86 19.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.94 35.37 39.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -155.04 111.05 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 m-70 -46.38 143.33 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 83' ' ' SER . 15.2 m -83.73 171.96 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 119.07 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.28 -45.83 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.622 ' HB3' HG22 ' A' ' 80' ' ' VAL . 11.9 t -61.59 146.3 90.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.674 0.75 . . . . 0.0 110.876 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.0 Cg_endo -69.74 156.19 92.85 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.377 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -107.63 111.86 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.2 135.31 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 69' ' ' HIS . 19.3 p90 -145.83 137.72 25.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 68' ' ' VAL . 29.3 m -101.49 137.53 39.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.81 HG21 ' HB2' ' A' ' 63' ' ' PRO . 73.1 t -105.98 128.81 60.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.85 -157.17 25.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.448 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 136.46 33.04 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB2' HG13 ' A' ' 15' ' ' VAL . 7.5 tp -46.56 -63.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.11 102.27 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.43 127.97 33.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -148.03 -48.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.84 174.43 45.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -163.72 176.84 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -129.12 155.41 20.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.71 38.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.6 t -91.74 103.31 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -135.95 145.05 45.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -102.56 123.3 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -82.86 93.69 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.55 159.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -168.68 139.97 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m 47.06 40.39 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.95 -104.21 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.89 83.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -83.85 160.43 58.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.531 0.681 . . . . 0.0 111.154 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.1 Cg_endo -69.73 125.76 12.54 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.0 p -82.46 107.3 15.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -63.28 -34.04 64.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.83 134.3 48.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m -103.14 142.53 33.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.69 141.45 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.51 -47.62 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 p -56.84 138.69 53.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 62' ' ' VAL . 43.5 mm -62.47 118.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 5.5 t -95.98 134.84 38.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -121.69 139.41 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 23' ' ' LEU . 9.5 tp -106.23 117.42 33.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.88 100.26 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 21' ' ' LEU . 7.5 mt -132.79 153.44 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 25' ' ' ILE . 15.6 pttm -155.48 116.96 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.695 HG21 HD12 ' A' ' 28' ' ' ILE . 4.9 mp -146.86 104.93 3.9 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.72 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.46 -35.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.695 HD12 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -105.22 152.97 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' N ' HG22 ' A' ' 28' ' ' ILE . 23.7 t30 -93.04 128.41 38.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 57' ' ' HIS . 4.5 t -41.93 -43.6 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.5 m -70.65 -43.67 68.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -60.41 -31.12 70.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 46.5 mtp -58.7 174.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.4 p -159.37 114.15 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.32 154.05 25.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 54.8 m80 -151.48 124.3 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -88.86 99.82 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.2 m -83.77 145.64 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' ARG . 19.5 m -105.24 155.72 37.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.63 21.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.5 p -97.47 -20.68 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.0 24.2 3.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 39' ' ' SER . 25.0 ttm180 -118.16 124.15 47.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 36' ' ' HIS . 5.1 p -127.35 138.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -123.88 178.19 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.62 129.57 44.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -95.76 160.22 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -103.76 143.53 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.23 83.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 51' ' ' PRO . 99.3 t -59.3 138.88 88.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.744 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.671 ' HD2' HG13 ' A' ' 50' ' ' VAL . 53.7 Cg_endo -69.73 89.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.426 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 8.3 mmt -70.04 -42.02 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -134.5 1.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -80.29 -67.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -114.22 37.43 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -109.28 154.01 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 30' ' ' SER . 70.1 m-70 -138.4 136.46 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 4.2 t -131.57 109.86 10.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.571 HG13 ' HB1' ' A' ' 47' ' ' ALA . 59.5 t -89.87 107.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -97.91 122.96 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 19' ' ' CYS . 4.8 p90 -155.65 164.43 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' ILE . 98.5 t -111.64 113.37 53.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.98 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.75 171.54 14.27 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.342 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 17.5 mm-40 -103.29 172.61 6.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -82.15 120.58 25.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.53 48.61 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.78 129.66 5.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.2 t -89.09 113.41 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.5 m80 -106.61 170.7 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -139.83 134.04 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 21' ' ' LEU . 31.4 t -95.46 109.13 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.9 m -96.63 105.36 17.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 HG12 ' A' ' 71' ' ' VAL . 93.1 t -112.38 98.47 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' CD2' ' A' ' 79' ' ' HIS . 21.9 mttp -102.07 153.01 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 28' ' ' ILE . 25.7 t80 -133.32 99.54 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 47.8 mtt-85 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.6 33.15 25.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -153.15 116.83 4.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 74' ' ' LYS . 26.2 m-70 -59.98 135.42 57.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -73.01 173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 m -64.66 120.31 12.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.67 -51.07 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.3 t -66.57 152.7 94.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.685 0.755 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 83' ' ' SER . 54.1 Cg_endo -69.77 146.3 81.83 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.39 -0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 89.9 m-85 -103.04 116.13 31.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -94.4 136.6 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.406 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 26.0 p90 -146.83 138.98 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -103.08 144.6 31.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.98 HG21 ' HB2' ' A' ' 63' ' ' PRO . 86.4 t -112.41 133.75 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.84 -157.36 18.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' LEU . 54.1 Cg_endo -69.73 136.66 33.65 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.382 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 93' ' ' GLY . 2.5 pt? -37.1 -37.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' H ' HD23 ' A' ' 92' ' ' LEU . . . 174.59 159.63 21.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.96 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.07 176.34 51.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.3 -117.95 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 t 64.78 41.37 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.71 -79.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 152.89 69.51 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.24 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.9 m -145.56 148.7 33.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -91.68 19.31 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -61.88 90.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -40.61 -44.09 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 132.68 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -114.23 125.71 54.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -166.98 118.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -64.63 -152.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.2 ptp180 34.58 38.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 146.02 88.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.56 45.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 p -101.18 100.83 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -85.83 -25.57 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.55 146.84 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.1 m -110.96 151.93 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 92' ' ' LEU . 9.2 p -75.15 144.8 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.2 -46.12 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -69.31 139.65 54.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 HG23 ' HG3' ' A' ' 60' ' ' ARG . 41.9 mm -56.46 134.35 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 61' ' ' PHE . 37.1 t -106.92 102.64 11.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -90.67 134.28 34.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.805 HD23 HD11 ' A' ' 23' ' ' LEU . 8.0 tp -108.19 105.65 15.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -69.85 104.72 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD11 HD23 ' A' ' 21' ' ' LEU . 85.3 mt -133.95 146.01 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -151.87 115.18 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 27' ' ' GLU . 11.6 mt -137.64 109.97 8.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 25' ' ' ILE . 53.3 Cg_endo -69.81 -9.05 25.14 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' H ' HG22 ' A' ' 25' ' ' ILE . 42.4 mt-10 -99.38 -3.57 33.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 mm -114.14 148.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -110.07 130.94 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -52.74 -17.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -87.81 -44.06 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 m-20 -86.42 26.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.573 ' SD ' ' CE1' ' A' ' 57' ' ' HIS . 42.8 mtp -105.85 158.67 16.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.3 m -159.08 115.39 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.55 152.35 37.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -147.91 145.53 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -106.8 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 m -79.25 148.27 32.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ARG . 4.8 p -113.77 153.09 46.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -3.35 11.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.9 p -98.92 -15.1 19.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 25.31 5.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.559 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' SER . 11.8 ttm180 -121.32 127.87 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.09 135.52 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 46' ' ' GLU . 5.2 t -122.23 -174.69 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 45' ' ' THR . 8.2 tt0 -104.67 126.26 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.711 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -85.18 149.6 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -86.62 144.65 27.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 57' ' ' HIS . 39.7 mt -117.09 97.93 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.68 129.44 48.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 98.81 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.8 mtm -82.1 -20.3 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.32 -135.4 1.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -82.58 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -117.4 26.69 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -104.81 138.11 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CE1' ' SD ' ' A' ' 33' ' ' MET . 28.0 m-70 -130.98 138.87 49.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.3 t -119.93 119.92 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG12 ' HD2' ' A' ' 61' ' ' PHE . 49.9 t -93.83 100.38 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 18' ' ' ILE . 38.2 ttt180 -94.32 122.83 37.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.741 ' HD2' HG12 ' A' ' 59' ' ' VAL . 38.2 p90 -154.82 164.82 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.9 106.69 55.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.807 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.75 167.24 24.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.539 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 11.6 mm-40 -98.47 172.95 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 129.46 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.02 47.58 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.12 134.3 7.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.07 117.05 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.539 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 1.4 m80 -107.11 166.6 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -132.79 121.84 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.17 109.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.6 m -98.73 119.28 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.4 t -129.09 99.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 79' ' ' HIS . 24.4 mtmt -105.22 161.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 32' ' ' ASP . 51.3 t80 -135.58 108.01 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 57.63 26.19 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.4 30.65 10.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -143.14 118.49 10.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 38.1 m-70 -67.13 123.0 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.16 162.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -61.64 126.45 27.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.06 -35.29 5.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -87.3 153.78 53.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.9 Cg_endo -69.77 148.81 87.51 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.61 110.57 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.25 139.01 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -149.07 151.54 34.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.0 m -110.82 143.68 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' ' 63' ' ' PRO . 19.4 t -107.94 135.18 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.02 -157.19 18.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.3 42.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD23 ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -50.46 -49.61 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.889 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 158.2 163.02 12.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -39.89 108.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.54 -161.33 26.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.81 131.25 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m -88.45 33.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.5 -161.46 33.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 110.95 2.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 t -92.45 127.62 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 136.64 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -107.99 167.99 9.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -122.7 -47.76 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.11 -98.0 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t 40.37 42.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -115.16 153.7 30.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 170.53 29.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -53.63 137.86 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -137.48 158.33 72.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.2 Cg_endo -69.71 -179.09 2.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 m -99.55 94.99 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.91 -36.85 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.42 173.72 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 15' ' ' VAL . 84.0 m -120.46 155.96 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' N ' HG22 ' A' ' 14' ' ' THR . 6.1 p -87.34 131.3 35.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.15 -43.03 3.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.9 m -70.2 137.1 50.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 62' ' ' VAL . 21.3 mm -52.37 135.54 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -108.57 140.25 42.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.43 123.9 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 71' ' ' VAL . 13.0 tp -98.69 115.89 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -72.01 102.26 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.89 114.59 15.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -129.52 122.11 28.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.0 mt -154.03 120.94 2.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.387 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.85 -45.26 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 75' ' ' TYR . 16.1 mm -75.33 144.82 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -110.59 133.52 53.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 p -54.01 -24.98 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 p -79.62 -29.4 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.24 25.37 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.526 ' SD ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 mtp -105.51 157.89 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -152.52 119.34 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -122.54 137.21 54.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -136.56 126.96 26.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 61' ' ' PHE . 89.9 t -87.91 100.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.8 m -85.78 149.11 25.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 m -109.6 153.82 42.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.07 6.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 p -105.75 -16.75 14.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.75 20.36 6.13 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -115.48 120.78 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -123.27 143.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 p -133.45 168.81 17.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -79.43 144.65 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB1' HG13 ' A' ' 59' ' ' VAL . . . -108.57 149.86 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -88.42 139.24 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.9 mt -116.46 88.48 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 51' ' ' PRO . 88.7 t -79.46 134.35 58.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.639 0.733 . . . . 0.0 111.071 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 50' ' ' VAL . 54.3 Cg_endo -69.73 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.477 ' CG ' ' HB2' ' A' ' 58' ' ' CYS . 16.5 mmt -69.11 -39.42 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.29 -141.14 5.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 55' ' ' ASN . 17.8 tptt -74.58 124.33 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 4.0 p-10 45.21 40.98 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 m -127.04 143.89 51.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.526 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.5 m-70 -139.15 140.78 37.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' MET . 38.4 t -122.78 113.77 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.463 HG13 ' HB1' ' A' ' 47' ' ' ALA . 56.9 t -87.61 93.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 18' ' ' ILE . 12.0 ttp180 -84.58 124.4 31.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.546 ' CB ' HG21 ' A' ' 37' ' ' VAL . 5.1 p90 -157.23 161.48 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 18' ' ' ILE . 38.6 t -111.88 109.39 55.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.732 ' HB2' HG21 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 -179.73 3.14 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.515 ' H ' ' CE1' ' A' ' 69' ' ' HIS . 26.1 mm-40 -113.58 171.38 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CB ' HG21 ' A' ' 15' ' ' VAL . 10.6 pt-20 -81.82 124.77 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.27 51.41 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 69' ' ' HIS . . . -140.95 127.93 3.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.3 t -85.43 113.18 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.515 ' CE1' ' H ' ' A' ' 64' ' ' GLN . 3.3 m80 -105.11 164.27 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.797 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 m -131.89 134.57 45.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 21' ' ' LEU . 64.3 t -97.57 105.22 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 m -90.4 117.12 28.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -126.99 97.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -107.16 159.04 16.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD2' HG23 ' A' ' 28' ' ' ILE . 41.9 t80 -134.9 106.41 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.0 mtp85 62.81 26.56 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.6 7.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 78' ' ' GLN . 3.7 pt20 -150.56 124.71 9.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.14 122.72 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.33 166.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.1 m -55.39 125.75 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.01 -51.3 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 84' ' ' PRO . 4.3 t -67.43 148.42 98.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.688 0.756 . . . . 0.0 110.829 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 83' ' ' SER . 53.7 Cg_endo -69.75 152.08 91.98 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.377 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 96.4 m-85 -106.23 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.01 141.03 29.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CZ ' ' CZ ' ' A' ' 61' ' ' PHE . 8.0 p90 -149.48 143.28 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -101.75 146.16 28.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.732 HG21 ' HB2' ' A' ' 63' ' ' PRO . 96.6 t -105.56 137.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.19 -157.29 12.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.37 47.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 93' ' ' GLY . 1.2 tt -49.36 -56.41 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.829 ' N ' HD23 ' A' ' 92' ' ' LEU . . . -143.21 144.97 14.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -86.58 124.55 33.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.54 152.89 8.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.3 -102.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.1 m 55.45 42.38 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.11 82.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.22 4.95 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.8 p 42.18 39.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p -120.91 126.71 50.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.947 . . . . . . . . 0 0 . 1 stop_ save_