data_2d9z_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 2d9z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.3 m80 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.381 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 36' ' ' LEU . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 81' ' ' THR . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.434 HG21 ' CG ' ' A' ' 55' ' ' GLU . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 108' ' ' LEU . 2.1 m120 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.449 HD21 ' N ' ' A' ' 109' ' ' ASP . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' N ' HD21 ' A' ' 108' ' ' LEU . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.712 0.292 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 6.5 p-80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 25.2 m170 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.462 ' CH2' HG22 ' A' ' 88' ' ' VAL . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.968 0.413 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' CE2' ' A' ' 86' ' ' TYR . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 87' ' ' PHE . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' CH2' ' A' ' 29' ' ' TRP . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 114' ' ' TRP . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' ALA . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 22.2 m170 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD21 ' NE1' ' A' ' 29' ' ' TRP . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.42 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.6 m80 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' NE1' ' CD2' ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD2' ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.973 0.416 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' CB ' ' A' ' 35' ' ' CYS . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.524 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ASP . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 87' ' ' PHE . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE1' HG11 ' A' ' 85' ' ' VAL . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.1 m170 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CH2' HG23 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' PRO . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.735 0.303 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.441 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.46 HG13 ' CE1' ' A' ' 87' ' ' PHE . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.563 HG23 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 117' ' ' ALA . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' VAL . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 14' ' ' MET . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 18.9 m170 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.432 ' HB3' ' CH2' ' A' ' 114' ' ' TRP . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.995 0.426 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' CYS . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.47 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.47 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 26.5 m170 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 88' ' ' VAL . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 37' ' ' THR . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 37' ' ' THR . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.411 ' SG ' ' CD1' ' A' ' 77' ' ' PHE . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CD1' ' SG ' ' A' ' 76' ' ' CYS . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.402 ' H ' ' CG2' ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 87' ' ' PHE . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' CH2' ' A' ' 29' ' ' TRP . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.518 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 90' ' ' GLU . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.7 m80 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.646 ' CH2' ' CG2' ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HD3' ' CE2' ' A' ' 28' ' ' TYR . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.473 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 11.1 t30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.925 0.393 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' GLU . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 60' ' ' SER . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 59' ' ' ILE . 9.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.646 ' CG2' ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' N ' HD23 ' A' ' 108' ' ' LEU . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 108' ' ' LEU . 4.2 mp0 -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.506 ' O ' ' N ' ' A' ' 117' ' ' ALA . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 114' ' ' TRP . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.736 0.303 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 24.0 m170 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.443 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.411 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 HG13 ' CG2' ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 111' ' ' ALA . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 23.3 m170 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.467 ' CA ' HD12 ' A' ' 80' ' ' ILE . 36.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 HD12 ' CA ' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.4 m170 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' CB ' ' A' ' 121' ' ' ALA . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 60' ' ' SER . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . 11.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.495 ' CG2' ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 86' ' ' TYR . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 85' ' ' VAL . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' HD21 ' A' ' 53' ' ' LEU . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 21.9 m80 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CD1' ' HG ' ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 36' ' ' LEU . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.728 0.299 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.4 HG23 ' CH2' ' A' ' 29' ' ' TRP . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 32.0 m80 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.514 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 23.4 m170 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.548 ' CH2' HG23 ' A' ' 88' ' ' VAL . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.553 ' NE ' ' CD1' ' A' ' 39' ' ' PHE . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' CE1' ' A' ' 39' ' ' PHE . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 121' ' ' ALA . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG23 ' CH2' ' A' ' 29' ' ' TRP . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.435 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.509 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' OE1' ' A' ' 40' ' ' GLN . 16.8 m170 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' HG22 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' A' ' 37' ' ' THR . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 1.8 p-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 55' ' ' GLU . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' LEU . 2.1 p30 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 14.4 m80 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.534 ' CH2' HG23 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.501 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' ASP . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.451 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 111' ' ' ALA . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.465 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 8.1 m80 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' CB ' ' A' ' 11' ' ' GLU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' GLN . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 14' ' ' MET . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' ASP . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 21.0 m80 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.2 m80 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.458 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.451 ' SG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.456 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 82' ' ' ASP . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.408 HG11 ' CE1' ' A' ' 87' ' ' PHE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.458 HG21 ' CH2' ' A' ' 29' ' ' TRP . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.629 ' CZ ' ' CE3' ' A' ' 13' ' ' TRP . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 28.2 m80 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' NE1' ' A' ' 29' ' ' TRP . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 3.0 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.953 0.406 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' SER . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 59' ' ' ILE . 45.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.748 0.308 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.406 HD12 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.539 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.557 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 14' ' ' MET . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -150.2 156.93 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.27 58.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 96.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -153.95 169.28 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -58.13 125.33 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.79 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.2 -40.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.2 mmt -62.4 -37.15 84.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -156.52 106.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -135.68 124.99 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.3 m80 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -148.66 166.58 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -77.07 -27.55 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -37.86 -66.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.86 63.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.6 m -110.79 160.87 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -35.33 132.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -50.05 161.95 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -96.53 -64.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 36' ' ' LEU . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' CG ' HG21 ' A' ' 81' ' ' THR . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -82.67 171.81 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 p -85.65 151.06 55.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 62' ' ' PRO . 59.6 mtp180 -35.93 -61.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.8 105.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -110.99 57.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -147.36 107.75 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -111.29 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.3 pt -109.79 174.19 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -52.02 -50.11 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -155.43 137.31 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.72 38.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -125.08 38.87 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 92' ' ' ASN . 17.5 m120 -126.44 72.0 72.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 174.11 9.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 -93.73 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.434 HG21 ' CG ' ' A' ' 55' ' ' GLU . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 108' ' ' LEU . 2.1 m120 -100.13 110.18 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 38.8 m-20 -79.92 -33.99 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.45 63.59 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -174.25 119.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -108.76 79.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -160.31 149.03 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.0 112.93 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.43 87.71 49.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.83 3.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.83 -48.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 pp -93.41 -28.94 15.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.02 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.08 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.9 p -62.64 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 114.44 12.03 11.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.88 139.12 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.17 167.82 13.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.449 HD21 ' N ' ' A' ' 109' ' ' ASP . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' N ' HD21 ' A' ' 108' ' ' LEU . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.81 -45.97 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -39.27 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 t -39.3 -54.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.79 154.09 51.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.37 35.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 p -98.6 159.38 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.8 p -59.26 125.91 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -110.34 -13.6 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -115.12 -48.86 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.82 66.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -165.45 112.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -138.99 130.27 26.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.74 -67.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ttm -78.53 124.79 28.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -101.53 -56.65 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp -154.22 157.51 38.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 6.5 p-80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 25.2 m170 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.462 ' CH2' HG22 ' A' ' 88' ' ' VAL . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -133.95 175.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.26 -20.52 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -130.23 115.12 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.88 113.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -58.9 -36.79 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 147.33 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.38 161.52 27.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 -98.77 -59.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t -75.6 155.37 35.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.26 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 61.02 32.68 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -119.8 36.31 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' CD2' ' CE1' ' A' ' 75' ' ' HIS . 9.9 m-85 -79.85 65.05 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.4 p -106.7 -40.7 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -99.05 41.15 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 pt -101.17 -3.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 3.2 m -42.62 150.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 69' ' ' SER . 2.0 mp0 62.04 37.45 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.7 146.7 18.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 -51.35 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' HB3' ' N ' ' A' ' 91' ' ' ASN . 0.8 OUTLIER -94.25 133.2 27.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.607 ' CE1' ' CD2' ' A' ' 65' ' ' PHE . 14.0 p-80 -125.36 159.38 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' CE2' ' A' ' 86' ' ' TYR . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 87' ' ' PHE . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' CH2' ' A' ' 29' ' ' TRP . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 -111.17 128.11 55.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' CG ' ' N ' ' A' ' 93' ' ' GLY . 2.6 p-10 -111.61 -52.84 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.487 ' N ' ' CG ' ' A' ' 92' ' ' ASN . . . -107.24 57.68 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.71 169.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.2 p 45.51 45.08 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -159.11 114.53 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -64.18 89.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -132.58 82.62 56.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -1.15 7.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.3 -30.21 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 64.7 mt -68.3 -21.4 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.37 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.86 -51.11 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -63.95 -48.26 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.16 29.1 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 p -132.0 145.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.117 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 118.76 -179.72 16.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 114' ' ' TRP . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' ALA . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.401 ' NH1' ' HE2' ' A' ' 123' ' ' MET . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt -51.05 -46.35 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.401 ' HE2' ' NH1' ' A' ' 119' ' ' ARG . 24.7 mmt -53.12 -56.12 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -56.79 95.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -129.26 -79.83 0.24 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.23 32.48 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.5 m -78.06 118.18 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' GLY . 1.5 t -132.42 160.28 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -117.29 -53.14 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -96.02 138.2 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.78 -64.68 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t 45.77 38.02 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -141.7 146.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.67 133.21 2.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -123.86 -30.58 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.1 107.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp -123.87 151.31 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.416 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 22.2 m170 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD21 ' NE1' ' A' ' 29' ' ' TRP . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.51 165.28 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.63 -55.5 28.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -95.57 84.44 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.81 82.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.564 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -39.95 -33.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -66.04 159.93 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -114.59 161.62 17.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 -108.06 -50.68 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.4 t -97.25 150.3 21.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -74.15 153.05 88.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.76 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -43.23 -55.31 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.24 119.2 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 43.4 m-85 -134.02 8.1 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -87.81 -16.81 33.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.4 pt -105.5 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 m -100.54 152.91 19.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLY . 4.7 pt20 -57.44 155.05 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . 38.21 67.99 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 73' ' ' ASN . 5.8 t -156.65 130.7 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' SER . 3.6 m120 -33.13 96.47 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.699 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -175.21 1.09 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -113.6 -178.25 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -101.22 114.82 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -92.66 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.44 55.41 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -130.14 178.64 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.5 p -51.88 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -116.61 176.54 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 m170 60.96 49.48 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.75 81.63 5.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.84 4.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.5 t -96.98 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -91.1 -40.09 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.15 -16.09 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.53 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -76.46 -69.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.6 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.98 -176.58 20.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.42 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' MET . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.1 -44.36 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.5 mmt -42.3 -49.61 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.1 p -51.67 134.47 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.01 -171.54 37.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 99.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.2 t -89.11 131.42 35.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.5 m 53.66 44.16 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p 47.26 41.76 12.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -129.34 108.9 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.91 65.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -92.61 176.7 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m 54.27 47.91 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 53.77 -96.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.4 mtm -37.29 130.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.0 -45.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -145.83 143.96 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.6 m80 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' NE1' ' CD2' ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD2' ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.2 t-20 -145.76 172.13 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ASN . 10.6 tm-20 -36.88 -45.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.9 t -124.09 127.85 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -163.18 108.74 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -51.4 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -96.17 149.26 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -95.61 133.79 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -52.76 -67.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HA ' ' CB ' ' A' ' 35' ' ' CYS . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.0 t -91.53 150.93 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -60.48 154.7 53.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.66 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 62.06 38.49 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.77 48.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -99.13 46.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.9 p -105.79 -36.53 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -49.04 -43.38 40.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.76 175.85 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -118.32 145.05 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -39.29 126.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 154.86 -72.25 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 158.29 36.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -56.55 139.62 75.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.35 27.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -108.41 149.16 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.524 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ASP . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 87' ' ' PHE . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE1' HG11 ' A' ' 85' ' ' VAL . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 -127.69 120.04 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -66.88 -43.31 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.63 -112.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -146.48 134.02 20.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.8 p -174.58 151.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -48.23 129.7 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -37.97 126.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.46 93.78 48.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.33 -46.51 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.41 ' CD1' ' C ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -93.41 -28.85 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.4 -40.29 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.87 -30.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.5 p -66.54 -54.97 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.34 34.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.444 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.11 123.45 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.07 179.96 15.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? -47.76 -54.37 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.6 mtm -51.91 -49.62 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 t -72.35 110.99 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 148.31 158.8 8.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.83 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -104.35 127.63 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t -126.56 156.31 41.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -63.92 121.98 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -97.49 131.47 44.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 178.98 41.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -104.75 173.55 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -46.8 -60.14 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.61 73.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.07 163.72 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -121.56 -54.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp -168.51 152.06 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.1 m170 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CH2' HG23 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.28 144.18 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -81.44 41.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 p -123.16 112.5 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.27 -157.75 50.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 m -115.11 94.49 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -159.29 132.02 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -114.27 169.3 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 -94.08 -50.73 5.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' PRO . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -84.87 178.57 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -91.03 150.67 42.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.73 -3.74 12.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -45.44 -43.13 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.47 118.06 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 62' ' ' PRO . 28.1 m-85 -123.98 -32.36 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.2 p -89.5 86.32 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -119.5 -50.36 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pp -92.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 t -126.21 -46.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -126.32 47.14 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 128.94 9.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.9 t -47.02 -59.5 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.79 144.08 48.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -164.5 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -117.15 176.93 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.441 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG13 ' CE1' ' A' ' 87' ' ' PHE . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.563 HG23 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -114.67 120.23 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' ND2' HG13 ' A' ' 106' ' ' VAL . 6.5 p30 -103.36 46.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.65 45.82 23.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -82.49 136.12 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.8 m -130.04 42.55 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.1 p -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -95.62 53.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -81.07 121.12 80.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.825 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.93 36.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.2 -49.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.0 mt -54.28 -45.39 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.68 -17.13 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.41 74.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.9 p -82.03 -19.85 39.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.44 53.75 1.42 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 HG13 ' ND2' ' A' ' 92' ' ' ASN . 20.2 t -151.84 132.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.39 -174.95 19.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 117' ' ' ALA . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.57 -41.44 30.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.9 mmt -59.71 -60.1 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -47.66 104.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 119.53 -158.42 15.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.97 31.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 t -103.02 91.66 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -46.2 -59.33 2.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.64 119.38 37.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.923 0.392 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -107.55 151.16 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.49 46.61 1.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -46.45 -50.65 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -69.97 120.3 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.69 -76.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.79 134.57 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.53 -56.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? -152.47 153.98 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' VAL . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 14' ' ' MET . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 18.9 m170 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.432 ' HB3' ' CH2' ' A' ' 114' ' ' TRP . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -119.39 174.91 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.05 34.19 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 p -107.99 166.93 10.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.1 1.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.0 m -143.16 158.93 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -34.69 147.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -179.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -119.2 -58.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 35' ' ' CYS . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t -102.69 158.2 16.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -80.36 159.6 69.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.53 3.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -52.09 -41.31 62.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.22 113.47 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.05 40.37 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.5 p -88.16 -43.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' OD1' ' CE2' ' A' ' 87' ' ' PHE . 26.4 m120 -38.83 -44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.8 pt -115.85 173.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -114.5 -50.01 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.61 150.69 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.28 -159.46 28.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -125.07 -177.73 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 35.5 m120 62.37 54.17 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 54.1 Cg_endo -69.7 165.51 30.65 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -94.1 155.12 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.47 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.47 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -101.33 110.01 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -78.51 -50.89 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.78 -99.62 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -107.26 90.19 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.2 t -118.87 42.77 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.6 p -62.87 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -121.23 80.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -129.53 78.89 74.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.59 -42.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 102' ' ' ALA . 89.8 mt -62.94 -46.58 87.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.49 -41.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.07 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.8 p -79.16 -44.48 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.26 39.5 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.4 t -124.44 98.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.83 157.95 9.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.79 -40.88 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.57 -61.97 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.1 p -51.27 156.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 147.45 133.72 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.12 25.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 p -81.21 173.83 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.8 m -114.4 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -41.5 153.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.63 161.09 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 137.56 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -159.18 107.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -132.77 101.09 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.9 -178.61 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.76 154.59 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.66 -50.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? -140.84 142.34 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 26.5 m170 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 88' ' ' VAL . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' CG ' ' HB ' ' A' ' 37' ' ' THR . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 37' ' ' THR . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.446 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CE1' ' HA ' ' A' ' 47' ' ' TYR . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.21 174.83 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -112.4 31.54 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -106.5 44.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 95.64 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -161.43 167.8 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -68.59 146.79 52.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.1 p90 -57.81 157.06 7.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 -90.35 -48.98 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -73.96 168.17 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -95.41 161.09 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.694 0.759 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.82 -9.17 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.619 2.213 . . . . 0.0 112.333 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -59.22 -31.99 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -62.39 106.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 52.5 m-85 -130.29 48.39 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -110.49 1.56 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.46 41.4 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 pt -113.47 -1.81 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . 63.0 m -47.92 176.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 13.9 tt0 -34.35 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.69 110.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -82.37 47.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.5 OUTLIER -133.52 73.9 72.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.43 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.258 . . . . 0.0 112.369 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -123.06 143.87 49.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.411 ' SG ' ' CD1' ' A' ' 77' ' ' PHE . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' CD1' ' SG ' ' A' ' 76' ' ' CYS . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.402 ' H ' ' CG2' ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 87' ' ' PHE . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' CH2' ' A' ' 29' ' ' TRP . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -95.88 127.63 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -110.06 -31.1 7.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.73 89.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -88.85 -42.79 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' SER . 39.9 p -144.47 168.84 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 3.3 m -34.84 -58.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 96' ' ' SER . 14.1 m80 -149.99 111.28 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.7 124.13 24.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.29 25.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.99 -53.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' A' ' 101' ' ' LEU . 1.7 pp -42.58 -41.91 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' N ' ' CD1' ' A' ' 101' ' ' LEU . . . -77.13 -44.21 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.87 -47.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.7 p -86.22 -49.8 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.38 38.85 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.25 89.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.5 173.74 45.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.518 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt -61.49 -48.2 82.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 56.8 mtm -42.43 -55.53 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.1 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.81 -163.21 47.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 157.22 61.12 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.747 2.298 . . . . 0.0 112.319 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 p -85.47 135.6 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.2 m -136.97 127.32 26.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -126.1 116.66 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 m -56.39 -41.39 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.06 126.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -84.88 150.91 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -125.13 148.07 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.85 -134.71 49.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.42 142.72 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 31' ' ' LEU . 14.1 m -127.25 -36.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -152.72 135.16 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 90' ' ' GLU . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.7 m80 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.646 ' CH2' ' CG2' ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HD3' ' CE2' ' A' ' 28' ' ' TYR . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 9' ' ' VAL . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 43' ' ' SER . 11.1 t30 -171.57 161.42 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.14 -40.78 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.581 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 73.0 m -124.81 100.89 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.9 -142.69 4.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.5 m -51.64 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -71.71 -65.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -154.4 135.65 14.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 -65.38 -75.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' GLU . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 60' ' ' SER . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 59' ' ' ILE . 9.7 t -110.33 -179.27 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -88.9 144.34 32.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.3 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' PRO . 13.3 ptm180 -36.71 -36.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.62 104.7 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ASN . 39.6 m-85 -123.07 -31.49 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.1 p -37.06 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' PHE . 5.2 m120 -47.07 -47.95 22.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.4 pp -92.76 -178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -123.22 -62.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 21.4 pt20 -80.48 -53.84 6.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . 106.01 42.94 1.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.9 m -65.16 -71.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 1.1 m120 -120.11 79.92 26.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -176.25 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -105.93 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.646 ' CG2' ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 73' ' ' ASN . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.1 107.5 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -98.9 36.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.47 78.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -132.53 140.07 48.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.4 m -45.43 142.01 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 m -68.01 176.05 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 m80 49.69 54.07 11.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 101' ' ' LEU . 6.0 t30 -127.71 72.04 78.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.448 HG21 ' ND2' ' A' ' 98' ' ' ASN . 34.4 m -87.11 -47.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB3' ' ND2' ' A' ' 98' ' ' ASN . 0.9 OUTLIER -74.61 -23.93 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -41.54 59.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.6 -42.47 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -61.99 -47.59 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 13' ' ' TRP . . . 127.25 18.67 2.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.44 164.02 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.52 166.1 29.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 112' ' ' GLN . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' N ' HD23 ' A' ' 108' ' ' LEU . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 108' ' ' LEU . 4.2 mp0 -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.506 ' O ' ' N ' ' A' ' 117' ' ' ALA . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 114' ' ' TRP . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.75 -8.23 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.6 mtm -92.73 -47.97 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -58.36 106.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.87 -155.86 16.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.23 17.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -161.91 154.2 19.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -108.2 149.06 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -163.22 139.35 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -104.48 132.52 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 132.58 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -76.16 136.77 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -67.86 -33.15 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.44 58.55 12.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 mmt -90.67 -55.11 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.72 109.16 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -135.04 124.55 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB2' ' CG1' ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 24.0 m170 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.443 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.89 162.99 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.43 -51.23 60.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -95.67 133.99 39.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.87 150.65 5.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -93.66 -54.15 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -38.09 140.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -114.88 136.94 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -56.18 -67.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -80.83 -177.97 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -126.24 156.95 71.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.75 1.88 4.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -67.85 -36.2 79.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 98.59 5.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 3.6 m-85 -127.12 48.38 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.8 p -109.26 -33.12 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.89 -24.41 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.8 pt -72.52 -3.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.0 t -45.72 -55.62 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -102.53 42.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.24 15.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -124.67 -62.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -87.53 119.59 70.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.647 0.736 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.296 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 -129.21 169.74 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.411 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 HG13 ' CG2' ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -94.32 133.6 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -133.88 41.73 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.69 94.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -84.4 -55.5 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -49.05 -60.28 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 159.74 28.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -122.68 149.67 43.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -162.89 105.03 1.03 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.74 -38.69 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.01 -43.59 91.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.2 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.3 p -69.24 -53.8 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.95 36.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.06 149.33 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.23 179.4 19.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 111' ' ' ALA . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.08 -55.19 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 124' ' ' SER . 19.8 ptp -81.19 -43.19 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 123' ' ' MET . 63.5 m -83.15 108.15 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -175.58 -155.35 12.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.17 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.1 p -38.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 m -52.77 -46.19 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -59.19 91.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.38 168.97 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.42 129.53 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -100.92 135.47 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -83.27 97.85 9.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.68 -125.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.425 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptm -79.21 140.11 37.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -107.15 -67.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp -150.22 155.54 39.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 23.3 m170 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.61 -41.17 69.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -130.3 143.87 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.89 -103.31 1.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 m -39.67 157.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -51.81 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.76 139.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -71.47 -67.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.467 ' CA ' HD12 ' A' ' 80' ' ' ILE . 36.0 t -69.18 174.26 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -106.36 162.3 20.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 4.94 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -81.04 -25.63 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -120.19 48.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -135.0 31.95 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 t -101.94 5.63 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.79 40.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' CB ' ' A' ' 74' ' ' PRO . 18.2 pt -98.94 -2.5 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -62.59 150.36 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 46.42 41.25 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.4 163.0 21.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -99.78 -47.88 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.45 98.75 37.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CB ' HG23 ' A' ' 68' ' ' ILE . 54.0 Cg_endo -69.81 158.86 55.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 65' ' ' PHE . 42.5 p-80 -90.68 162.4 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 HD12 ' CA ' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -123.58 143.01 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -125.21 -50.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.76 -62.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 92.74 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 t -93.13 -57.22 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.6 t -82.05 -49.09 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -44.65 -49.21 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 22.9 t-20 -119.5 86.88 35.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.32 -50.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' CD1' ' ND2' ' A' ' 98' ' ' ASN . 6.1 mp -55.57 -51.51 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.92 -42.07 97.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.12 -40.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.3 p -87.24 -51.87 5.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.59 -29.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.5 t -64.65 100.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 147.47 158.64 7.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt -46.94 -59.41 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.6 mtt -63.82 -48.25 77.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -63.76 96.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.39 158.83 31.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.79 34.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -113.89 -59.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -77.95 143.26 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -90.04 155.56 18.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -68.28 -53.01 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 -157.51 28.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -126.03 41.02 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -55.14 131.91 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.44 44.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -44.22 164.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.94 -57.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.4 m170 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -124.2 165.22 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -67.16 -21.83 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.0 p -118.78 115.9 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.15 152.62 6.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' TYR . 22.9 t -101.78 -39.21 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -50.16 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' SER . 1.6 p90 -55.86 154.42 7.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -89.4 -60.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' CB ' ' A' ' 121' ' ' ALA . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 60' ' ' SER . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . 11.8 t -93.72 151.4 19.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -73.79 159.8 83.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.755 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.68 3.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -79.21 45.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.17 43.94 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -80.54 -41.69 23.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' ASN . 33.1 p -46.67 -43.43 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -35.96 -42.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.9 pt -99.1 173.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -119.04 -62.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -171.78 136.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.46 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -159.45 169.41 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.22 152.55 38.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 -146.38 154.49 41.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.495 ' CG2' ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 86' ' ' TYR . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 85' ' ' VAL . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -100.63 115.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -98.09 42.67 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.42 66.18 2.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.83 111.76 13.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.9 p -73.05 -51.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.9 m -134.57 132.13 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -39.54 109.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -109.37 117.43 53.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.706 0.765 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -14.72 36.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 101' ' ' LEU . 8.3 p -81.16 -25.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.479 ' N ' HG13 ' A' ' 100' ' ' VAL . 86.8 mt -83.53 -47.5 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -59.35 -42.85 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.63 -46.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.5 p -84.08 -44.96 13.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.76 47.82 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.86 101.2 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.12 -174.57 26.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' CB ' HD21 ' A' ' 53' ' ' LEU . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 19.1 mt -46.84 -62.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 ptm -60.8 -31.07 70.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.3 t -102.84 43.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.48 -86.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.02 6.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -54.04 152.66 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 p -111.54 175.83 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -141.6 141.37 33.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -115.36 41.16 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -69.4 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.05 128.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.4 143.73 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 80.55 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.4 ptp -123.23 -41.11 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m -139.17 108.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -136.7 145.08 44.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 21.9 m80 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CD1' ' HG ' ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 46' ' ' LYS . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.3 165.4 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.62 -34.03 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 m -134.9 154.3 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.95 48.94 5.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.562 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -175.14 -177.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -134.8 -36.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -175.79 142.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 -94.62 -60.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' A' ' 36' ' ' LEU . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -73.67 123.13 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.486 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -53.07 -60.06 7.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.4 Cg_endo -69.8 -177.95 2.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ASP . 8.9 ptp180 -119.43 40.58 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 34.08 51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -57.57 -13.62 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -69.73 -12.95 62.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -115.24 54.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 pt -115.86 -6.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -50.21 -68.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' GLY . 34.5 tp60 -53.03 116.82 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . -38.48 103.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 m -162.17 172.59 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 92' ' ' ASN . 1.1 m120 -97.76 144.6 28.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 160.89 48.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 -104.2 171.58 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG23 ' CH2' ' A' ' 29' ' ' TRP . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -122.25 104.04 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 3.1 p30 -57.93 -47.09 83.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.31 59.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -128.29 165.9 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -134.54 57.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 t -162.19 176.37 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -94.85 106.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.89 85.82 2.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.76 -37.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.85 -54.18 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -36.03 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.54 -48.65 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -84.49 -25.07 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.46 52.48 0.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.5 136.43 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.371 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.25 179.77 17.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.489 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt -47.8 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.515 ' SD ' ' N ' ' A' ' 124' ' ' SER . 0.0 OUTLIER -78.86 -52.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.515 ' N ' ' SD ' ' A' ' 123' ' ' MET . 1.4 t 33.03 34.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 123' ' ' MET . . . -150.17 130.06 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 136.4 33.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.5 t -69.34 -51.69 34.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -126.92 117.17 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 173.25 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -137.81 140.8 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.06 130.9 4.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -74.91 164.39 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -126.78 -40.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -43.33 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 8' ' ' MET . 4.2 ppp? -96.83 158.25 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -106.29 -73.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -150.7 157.7 43.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 32.0 m80 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -151.17 174.03 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -60.44 -45.25 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -99.15 46.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.04 116.48 4.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.6 p -65.1 -59.01 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -75.44 147.82 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -89.66 150.2 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 -68.23 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -80.89 134.07 35.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.494 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -71.48 -59.96 2.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 110.852 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HD2' ' CG2' ' A' ' 68' ' ' ILE . 16.7 ptp180 -91.37 38.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' PHE . 1.6 m-20 43.54 25.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASP . 12.0 m-85 35.5 43.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -112.45 -37.94 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.01 59.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -124.32 -6.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.9 m -99.3 -41.7 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -135.08 124.46 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.0 168.5 37.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -123.23 -69.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -96.07 133.34 25.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.571 0.701 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -177.95 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.514 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -112.06 115.83 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.63 -32.58 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.69 -58.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.83 137.67 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -155.91 131.56 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -158.24 135.37 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.7 m170 44.61 41.17 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.81 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -114.9 86.01 12.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.94 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.4 t -84.85 -47.72 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -85.68 -46.03 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -52.17 -41.99 63.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.93 -37.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.0 p -82.13 -50.21 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 126.55 41.3 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.5 p -129.49 139.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.59 176.3 18.38 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.43 -58.2 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 7.1 mtm -44.14 -57.54 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 m -63.07 149.39 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.48 -158.46 30.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.87 12.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.6 t -78.62 110.97 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -128.01 159.28 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -43.31 109.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p 45.67 44.94 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.23 97.76 1.03 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -98.38 173.76 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -104.4 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 82.95 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -142.13 151.78 42.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -63.39 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -115.71 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' ND2' HG23 ' A' ' 68' ' ' ILE . 67.2 m-20 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 23.4 m170 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.548 ' CH2' HG23 ' A' ' 88' ' ' VAL . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.553 ' NE ' ' CD1' ' A' ' 39' ' ' PHE . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.479 HG23 ' CE1' ' A' ' 39' ' ' PHE . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -146.89 172.92 12.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -85.25 56.16 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -86.64 -70.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.87 -67.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 t -58.56 -71.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.17 156.5 36.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -142.37 165.67 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -85.2 -60.71 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 121' ' ' ALA . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.53 165.97 12.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.3 m -89.66 157.73 46.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HA ' ' NE2' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.72 -9.6 26.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -39.96 -33.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.3 108.2 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.79 21.83 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -97.05 -1.66 44.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.5 -36.71 68.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG23 ' ND2' ' A' ' 22' ' ' ASN . 47.5 pt -117.22 179.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 m -104.14 -39.14 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -152.7 136.18 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.51 139.13 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -100.79 -22.52 14.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -122.72 82.66 48.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 178.57 4.44 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.406 ' NE2' ' HA ' ' A' ' 62' ' ' PRO . 35.0 p-80 -98.88 173.8 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.416 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG23 ' CH2' ' A' ' 29' ' ' TRP . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER -100.07 123.89 44.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 101' ' ' LEU . 7.4 p30 -86.96 41.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.22 29.93 2.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -163.49 138.82 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 m -129.68 50.08 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -85.75 11.63 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 t60 65.1 35.51 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.4 121.38 16.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.79 -21.63 33.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.0 p -81.92 -40.58 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' CD1' ' ND2' ' A' ' 92' ' ' ASN . 54.2 mt -64.97 -68.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.74 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -50.0 -52.2 35.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -83.62 -14.75 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.43 26.42 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -115.11 136.82 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 164.47 11.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.435 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp -45.05 -45.65 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.8 mmt -48.95 -44.33 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 t -47.97 115.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -118.35 158.47 14.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.44 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.2 p -57.09 -48.23 79.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.4 t -90.9 -44.89 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -74.8 150.52 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -123.19 116.27 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 88.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -111.0 155.24 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -40.12 130.73 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -52.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.24 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -140.05 105.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp -148.38 123.33 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' OE1' ' A' ' 40' ' ' GLN . 16.8 m170 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' HG22 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' CG ' ' HB ' ' A' ' 37' ' ' THR . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.87 158.77 43.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.18 46.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -172.36 155.97 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 -172.4 19.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 m -118.36 -56.24 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.66 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -133.81 150.95 51.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 -62.43 -65.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.411 HD13 ' CD2' ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -119.19 133.3 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.8 -67.87 0.18 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.856 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 53.7 Cg_endo -69.79 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 62' ' ' PRO . 11.5 mmt180 71.33 25.0 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -122.71 41.81 3.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -100.07 42.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 t -125.37 -17.37 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -80.4 -24.97 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.8 pt -99.29 -6.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -61.6 -36.64 81.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -96.27 -46.83 6.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.31 50.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -118.86 175.3 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.69 143.66 79.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 53.7 Cg_endo -69.77 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 1.8 p-80 -116.81 179.96 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 55' ' ' GLU . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.48 140.51 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -84.1 41.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.06 -65.74 1.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 112.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.6 t -104.53 79.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -146.09 166.05 27.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -76.68 125.47 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -162.24 111.41 1.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.47 30.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.63 -47.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 mt -57.26 -61.09 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.464 ' CB ' ' OD1' ' A' ' 109' ' ' ASP . . . -52.45 -38.73 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -33.99 -48.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -82.11 -41.72 20.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 110' ' ' VAL . . . 120.57 34.37 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.06 123.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.37 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.554 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' CG2' ' HA2' ' A' ' 105' ' ' GLY . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.14 -55.72 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.3 mtp -46.61 -61.0 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -140.27 148.89 42.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.76 141.53 12.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.03 4.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -42.89 -48.1 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -87.85 -48.13 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -75.64 126.48 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.83 -73.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -104.89 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -156.89 116.05 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -175.46 40.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mmt -45.06 128.76 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.8 t -49.63 -53.44 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp -156.32 136.8 13.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' LEU . 2.1 p30 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 14.4 m80 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.534 ' CH2' HG23 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -132.48 167.87 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.31 -32.73 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 t -111.56 102.82 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.47 156.33 16.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -97.3 -49.05 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -54.87 134.23 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -93.95 156.95 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -91.39 -45.05 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.8 t -80.16 148.45 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -69.51 160.27 80.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.678 0.752 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -164.03 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 58.48 35.76 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -121.53 44.04 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.81 42.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.7 p -102.57 -43.69 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.58 -26.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -117.38 161.44 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' GLN . 8.0 t -98.27 134.69 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' SER . 20.8 pt20 34.28 42.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.19 95.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.42 90.56 8.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.37 31.21 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -107.24 150.73 26.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.501 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' ASP . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.534 HG23 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.451 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -104.38 114.47 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.75 42.06 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.89 121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.66 178.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -40.35 134.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.4 p -161.33 163.28 30.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -82.61 43.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -115.83 76.08 5.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.77 19.41 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.86 -38.88 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -48.83 -47.34 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -69.73 -46.51 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.19 -38.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -89.25 -59.77 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.89 41.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.05 97.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.92 -166.96 28.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 111' ' ' ALA . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.465 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.58 -48.25 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 124' ' ' SER . 4.5 ptm -93.52 -52.24 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 123' ' ' MET . 3.9 t -42.31 162.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.28 125.09 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.87 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 p -87.04 117.35 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.1 t -81.17 86.85 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -57.31 108.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -124.47 87.97 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.77 -64.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -45.77 130.68 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -123.17 125.22 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.49 58.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.92 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -148.93 107.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -152.08 137.56 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 8.1 m80 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' CB ' ' A' ' 11' ' ' GLU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.469 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.32 175.63 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.53 63.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 t -135.45 176.34 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 39' ' ' PHE . . . -133.33 -28.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.552 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -53.47 -67.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -96.47 118.77 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -95.94 -175.72 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -121.52 -58.51 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t -91.74 160.06 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -84.65 157.28 61.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -2.3 9.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -39.15 -54.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.67 114.52 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -126.2 57.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 p -101.22 -23.93 14.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.414 ' ND2' ' CE2' ' A' ' 17' ' ' TYR . 47.7 t30 -97.93 55.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.88 -178.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -163.88 160.18 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -40.38 101.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.76 53.76 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -109.46 131.31 55.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -63.06 118.04 38.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.72 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -116.3 165.17 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 14' ' ' MET . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -100.59 120.86 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -114.43 -14.7 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.29 73.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -52.05 -43.95 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -133.38 63.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -153.13 154.57 35.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -126.92 109.0 11.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -148.33 105.01 3.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.53 26.33 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.3 t -75.33 -44.43 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.5 mt -45.66 -22.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -70.95 -47.05 61.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.26 -50.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.7 p -75.22 -45.92 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.85 38.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 p -128.34 132.11 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 114.48 170.57 16.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' ASP . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.26 -39.98 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.2 mtm -58.97 -42.39 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -63.31 -50.37 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.28 -159.13 21.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -2.71 10.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -41.16 98.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.8 p -114.75 42.12 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.71 103.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -99.13 129.11 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 113.06 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -113.65 129.66 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -100.54 119.59 38.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -107.38 133.83 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.7 t -98.52 -50.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 21.0 m80 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CE2' ' A' ' 39' ' ' PHE . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -126.08 170.35 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -59.93 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -48.93 163.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.73 82.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -94.78 -52.22 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -159.11 129.02 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.95 149.04 28.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -92.83 -44.78 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -90.47 -176.86 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -104.9 142.78 25.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -9.15 25.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -55.46 -43.46 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.25 110.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.68 22.95 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.4 p -89.61 -34.92 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.03 -14.87 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 pt -114.58 -179.56 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -158.89 169.73 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.66 -19.12 47.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.64 -82.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 73' ' ' ASN . 9.6 t -61.79 172.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -81.33 143.48 52.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -135.65 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -117.88 110.83 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -49.44 -43.08 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.35 -105.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -42.43 138.15 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -122.6 93.5 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -133.76 149.65 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 11.4 p-80 -40.39 119.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -174.29 117.33 0.34 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.75 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 p -38.73 -44.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.2 mt -46.01 -44.64 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.5 -46.83 21.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.26 -48.34 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.5 p -77.74 -33.6 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.64 32.1 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 107' ' ' GLY . 64.3 t -135.74 145.36 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.463 ' N ' HG11 ' A' ' 106' ' ' VAL . . . 122.79 170.53 13.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt -46.38 -41.91 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' SER . 39.8 mtm -72.99 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' MET . 36.9 t -35.3 121.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.98 -92.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.87 2.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -148.47 131.76 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -99.65 43.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p 39.17 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -80.99 42.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.48 56.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -114.17 146.05 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -101.16 -61.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -158.29 -38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.4 mmt -37.65 -39.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 m -141.31 109.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -136.57 145.4 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.2 m80 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.458 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.451 ' SG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.519 HG22 ' CZ ' ' A' ' 47' ' ' TYR . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.88 175.15 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -39.32 84.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -83.28 120.07 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.64 76.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 m -71.8 100.24 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 47' ' ' TYR . 6.9 mtmp? -132.94 126.48 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -31.92 138.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 -110.69 -36.97 5.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.457 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 t -68.6 -177.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -116.61 160.99 34.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.733 0.778 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -57.21 -44.39 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.84 107.19 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -119.55 41.79 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.7 t -97.22 -42.92 7.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' ND2' HD13 ' A' ' 68' ' ' ILE . 4.9 p-10 -35.88 -41.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HD13 ' ND2' ' A' ' 67' ' ' ASN . 0.2 OUTLIER -115.27 167.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -111.34 95.17 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 56.44 41.06 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.93 108.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -38.1 -49.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 6.8 m120 -102.71 96.28 7.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 73' ' ' ASN . 53.6 Cg_endo -69.78 176.35 6.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -110.18 150.58 28.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.456 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 82' ' ' ASP . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.408 HG11 ' CE1' ' A' ' 87' ' ' PHE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.458 HG21 ' CH2' ' A' ' 29' ' ' TRP . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.446 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -114.56 115.37 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -86.08 -44.76 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' ASP . . . 85.13 -50.38 4.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' GLY . 21.1 m-20 -37.08 -49.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.2 t -141.2 144.57 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -120.06 -61.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 98' ' ' ASN . 28.6 m80 -42.28 -43.95 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 97' ' ' HIS . 9.3 m-20 -32.86 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' HIS . 54.2 Cg_endo -69.66 -11.72 31.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 88.7 t -75.29 -48.59 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -50.71 -56.0 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.19 -44.08 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -37.01 -51.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.4 p -78.31 -42.1 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.83 40.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.03 113.2 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.2 -178.08 19.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt -58.96 -54.24 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.0 mmt -40.91 -58.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 t -89.64 119.94 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 172.24 -84.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.428 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 140.21 42.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 1.7 t -128.65 -51.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' SER . 46.7 t -37.4 132.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -62.71 162.79 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -163.07 154.36 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 169.64 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -112.78 -53.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -94.27 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.07 -59.93 4.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -79.78 129.29 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 10' ' ' LYS . 12.4 p -56.88 -29.97 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? -172.36 128.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.531 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.629 ' CZ ' ' CE3' ' A' ' 13' ' ' TRP . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 28.2 m80 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' NE1' ' A' ' 29' ' ' TRP . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.55 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 40' ' ' GLN . 3.0 p30 -125.43 165.61 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -49.91 -43.48 49.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -134.69 145.47 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.43 161.09 8.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -97.17 -179.66 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 61.89 50.05 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -47.12 150.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -43.79 -55.83 4.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' SER . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 59' ' ' ILE . 45.4 t -125.5 121.08 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -75.21 -62.09 0.89 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 52.9 Cg_endo -69.82 -163.57 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 63.44 39.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -175.02 104.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.69 -44.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -141.54 112.03 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -107.97 -48.38 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.4 pt -124.11 -3.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -174.59 174.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.86 -62.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.65 57.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -89.27 -46.77 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -134.14 84.59 41.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.95 6.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 -114.13 160.35 19.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.406 HD12 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.539 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.557 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -127.66 141.95 51.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -79.62 -44.4 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.63 -104.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -95.58 108.0 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.5 m -155.69 108.91 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -64.54 -53.73 43.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.97 136.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 p-10 -163.11 107.0 1.01 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.4 -46.04 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' ALA . 11.6 mt -83.32 -57.99 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -37.61 -39.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.77 -54.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.4 p -77.48 -17.67 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . 105.6 41.51 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.3 t -124.82 108.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.37 167.6 13.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 14' ' ' MET . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.9 mp -49.2 -47.99 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.55 -60.59 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -105.73 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.88 -95.19 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' SER . 54.2 Cg_endo -69.77 1.09 4.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' PRO . 13.3 m -34.51 135.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.2 t -157.17 121.8 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.968 ' O ' HD12 ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 30' ' ' ARG . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.381 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.791 ' ND2' HD12 ' A' ' 108' ' ' LEU . 2.1 m120 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.791 HD12 ' ND2' ' A' ' 91' ' ' ASN . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' ALA . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.712 0.292 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.968 0.413 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG23 ' OE1' ' A' ' 55' ' ' GLU . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' OE1' HG23 ' A' ' 51' ' ' ILE . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 81' ' ' THR . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 56' ' ' ILE . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 56' ' ' ILE . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 84' ' ' MET . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.711 ' H ' HG23 ' A' ' 83' ' ' THR . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 26' ' ' ARG . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 32' ' ' ASP . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 HD12 ' A' ' 122' ' ' LEU . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.887 ' HB2' HD11 ' A' ' 80' ' ' ILE . 15.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.887 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.431 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 122' ' ' LEU . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.603 HD12 HD22 ' A' ' 53' ' ' LEU . 7.9 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' VAL . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 86' ' ' TYR . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.782 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.671 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD21 ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.973 0.416 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 36' ' ' LEU . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 80' ' ' ILE . 17.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HG23 ' A' ' 81' ' ' THR . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.492 HG23 HG22 ' A' ' 79' ' ' ILE . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 18' ' ' THR . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 16' ' ' HIS . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 26' ' ' ARG . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CB ' HG22 ' A' ' 88' ' ' VAL . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB2' HG12 ' A' ' 15' ' ' VAL . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.728 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 36' ' ' LEU . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 30' ' ' ARG . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 38' ' ' LEU . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 37' ' ' THR . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.78 HG22 HD11 ' A' ' 56' ' ' ILE . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 121' ' ' ALA . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 HG22 ' A' ' 51' ' ' ILE . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' HD11 ' A' ' 80' ' ' ILE . 34.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.735 0.303 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG21 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' HG22 ' A' ' 88' ' ' VAL . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.773 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 30' ' ' ARG . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.995 0.426 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.701 HG22 HD11 ' A' ' 56' ' ' ILE . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 78' ' ' GLU . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG21 ' CH2' ' A' ' 29' ' ' TRP . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' A' ' 114' ' ' TRP . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.732 ' O ' HD12 ' A' ' 36' ' ' LEU . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HG22 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 36' ' ' LEU . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 ' OD1' ' A' ' 82' ' ' ASP . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 60' ' ' SER . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.507 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 HG23 ' A' ' 81' ' ' THR . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 79' ' ' ILE . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' OD1' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.723 ' H ' HG23 ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' HG11 ' A' ' 88' ' ' VAL . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 9.7 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.925 0.393 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 80' ' ' ILE . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.623 HG21 ' OE2' ' A' ' 115' ' ' GLU . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.482 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 57' ' ' LEU . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.78 HG21 ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 110' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.599 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.785 ' HA ' HE22 ' A' ' 112' ' ' GLN . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 114' ' ' TRP . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.785 HE22 ' HA ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.683 ' CD1' HG22 ' A' ' 110' ' ' VAL . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 59' ' ' ILE . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.515 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 119' ' ' ARG . 4.9 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.736 0.303 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.833 ' HB2' HG12 ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 32' ' ' ASP . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 51' ' ' ILE . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 36' ' ' LEU . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' HG23 ' A' ' 51' ' ' ILE . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 90' ' ' GLU . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 36' ' ' LEU . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 30' ' ' ARG . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 72.0 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD22 ' CB ' ' A' ' 121' ' ' ALA . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 60' ' ' SER . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.859 ' HB2' HD11 ' A' ' 80' ' ' ILE . 36.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.588 ' HG ' ' HD1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.745 HG13 HG13 ' A' ' 80' ' ' ILE . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 88' ' ' VAL . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.451 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.577 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 26' ' ' ARG . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.694 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.507 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' LEU . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 30' ' ' ARG . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.783 ' OE1' HG22 ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.857 ' CB ' HD11 ' A' ' 80' ' ' ILE . 11.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.857 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.783 HG22 ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 80' ' ' ILE . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.507 HG21 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.438 ' OE1' HG21 ' A' ' 15' ' ' VAL . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 17.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.902 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 119' ' ' ARG . 19.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.742 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.74 HG22 HD11 ' A' ' 56' ' ' ILE . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.728 0.299 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.425 HD21 HD13 ' A' ' 108' ' ' LEU . 4.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.425 HD13 HD21 ' A' ' 91' ' ' ASN . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.505 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' HG12 ' A' ' 15' ' ' VAL . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' MET . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 HD23 ' A' ' 36' ' ' LEU . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 85' ' ' VAL . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 80' ' ' ILE . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 13' ' ' TRP . 32.8 m-70 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 36' ' ' LEU . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 30' ' ' ARG . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.529 HD12 HD23 ' A' ' 36' ' ' LEU . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.567 HG13 HG13 ' A' ' 85' ' ' VAL . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 80' ' ' ILE . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 108' ' ' LEU . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.899 HG12 ' HB2' ' A' ' 26' ' ' ARG . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.411 HG22 ' HD1' ' A' ' 86' ' ' TYR . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.899 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.615 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 27.5 m-70 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 36' ' ' LEU . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 51' ' ' ILE . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HG22 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.615 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.59 HD12 HD23 ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 1.8 p-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.493 HG22 HG23 ' A' ' 81' ' ' THR . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 79' ' ' ILE . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HD1' HG22 ' A' ' 18' ' ' THR . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 111' ' ' ALA . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.596 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 26' ' ' ARG . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' LEU . 2.1 p-10 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.675 ' O ' HD12 ' A' ' 36' ' ' LEU . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 30' ' ' ARG . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 80' ' ' ILE . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB2' HD11 ' A' ' 80' ' ' ILE . 7.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG22 HG23 ' A' ' 81' ' ' THR . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.78 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' ILE . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 26' ' ' ARG . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 13.6 m-70 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 30' ' ' ARG . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' GLN . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 121' ' ' ALA . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 78' ' ' GLU . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 80' ' ' ILE . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 29' ' ' TRP . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' ASP . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 ' HB2' ' A' ' 26' ' ' ARG . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' HG12 ' A' ' 15' ' ' VAL . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' HD21 ' A' ' 38' ' ' LEU . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 36' ' ' LEU . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.426 HG23 ' OE1' ' A' ' 55' ' ' GLU . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' OE1' HG23 ' A' ' 51' ' ' ILE . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 60' ' ' SER . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.695 ' HB2' HD11 ' A' ' 80' ' ' ILE . 2.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HB2' HG12 ' A' ' 15' ' ' VAL . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 13' ' ' TRP . 75.0 m-70 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.549 ' HG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 30' ' ' ARG . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 49' ' ' LYS . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 37' ' ' THR . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.549 ' C ' ' HG ' ' A' ' 35' ' ' CYS . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 81' ' ' THR . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.601 ' HB2' HD11 ' A' ' 80' ' ' ILE . 19.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 81' ' ' THR . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.72 HG13 HG13 ' A' ' 85' ' ' VAL . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 HG22 ' A' ' 79' ' ' ILE . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 84' ' ' MET . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.691 ' H ' HG23 ' A' ' 83' ' ' THR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.72 HG13 HG13 ' A' ' 80' ' ' ILE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 16' ' ' HIS . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' HG21 ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 ' HE ' ' A' ' 24' ' ' ARG . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' CB ' HG22 ' A' ' 88' ' ' VAL . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.682 ' HE ' HG21 ' A' ' 15' ' ' VAL . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.621 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB2' HD12 ' A' ' 36' ' ' LEU . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.953 0.406 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 56' ' ' ILE . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.676 ' CB ' HD11 ' A' ' 80' ' ' ILE . 45.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.748 0.308 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 81' ' ' THR . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 56' ' ' ILE . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.717 ' H ' HG23 ' A' ' 83' ' ' THR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.532 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.621 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CE2' ' HE2' ' A' ' 10' ' ' LYS . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 122' ' ' LEU . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 118' ' ' ILE . 9.9 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -150.2 156.93 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.27 58.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 96.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -153.95 169.28 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -58.13 125.33 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.79 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.2 -40.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.425 ' O ' HG13 ' A' ' 9' ' ' VAL . 34.2 mmt -62.4 -37.15 84.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -156.52 106.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -135.68 124.99 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.968 ' O ' HD12 ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 30' ' ' ARG . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -148.66 166.58 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -77.07 -27.55 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -37.86 -66.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.86 63.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.6 m -110.79 160.87 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -35.33 132.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -50.05 161.95 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -96.53 -64.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.8 t -82.67 171.81 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 p -85.65 151.06 55.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 62' ' ' PRO . 59.6 mtp180 -35.93 -61.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.8 105.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -110.99 57.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -147.36 107.75 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -111.29 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.3 pt -109.79 174.19 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -52.02 -50.11 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -155.43 137.31 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.72 38.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -125.08 38.87 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -126.44 72.0 72.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 174.11 9.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 -93.73 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.791 ' ND2' HD12 ' A' ' 108' ' ' LEU . 2.1 m120 -100.13 110.18 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -79.92 -33.99 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.45 63.59 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -174.25 119.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -108.76 79.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -160.31 149.03 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.0 112.93 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.43 87.71 49.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.83 3.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.83 -48.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 101' ' ' LEU . 1.1 pp -93.41 -28.94 15.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.02 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.08 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.9 p -62.64 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.855 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 114.44 12.03 11.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.88 139.12 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.17 167.82 13.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.791 HD12 ' ND2' ' A' ' 91' ' ' ASN . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.855 HG21 ' HA2' ' A' ' 105' ' ' GLY . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.81 -45.97 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -39.27 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 t -39.3 -54.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.79 154.09 51.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.37 35.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 p -98.6 159.38 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.8 p -59.26 125.91 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -110.34 -13.6 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -115.12 -48.86 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.82 66.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -165.45 112.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -138.99 130.27 26.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.74 -67.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ttm -78.53 124.79 28.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 32' ' ' ASP . 66.2 t -101.53 -56.65 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp -154.22 157.51 38.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HA ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -133.95 175.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.26 -20.52 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -130.23 115.12 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.88 113.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -58.9 -36.79 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 147.33 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.38 161.52 27.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 -98.77 -59.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG23 ' OE1' ' A' ' 55' ' ' GLU . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' OE1' HG23 ' A' ' 51' ' ' ILE . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 81' ' ' THR . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t -75.6 155.37 35.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.26 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 61.02 32.68 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -119.8 36.31 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.535 ' CD2' ' CD2' ' A' ' 75' ' ' HIS . 9.9 m-85 -79.85 65.05 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.4 p -106.7 -40.7 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -99.05 41.15 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 pt -101.17 -3.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 3.2 m -42.62 150.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 69' ' ' SER . 2.0 mp0 62.04 37.45 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.7 146.7 18.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 -51.35 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' N ' ' A' ' 91' ' ' ASN . 0.8 OUTLIER -94.25 133.2 27.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' CD2' ' CD2' ' A' ' 65' ' ' PHE . 3.0 p80 -125.36 159.38 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 56' ' ' ILE . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 56' ' ' ILE . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 84' ' ' MET . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.711 ' H ' HG23 ' A' ' 83' ' ' THR . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 -111.17 128.11 55.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' CG ' ' N ' ' A' ' 93' ' ' GLY . 2.6 p-10 -111.61 -52.84 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.487 ' N ' ' CG ' ' A' ' 92' ' ' ASN . . . -107.24 57.68 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.71 169.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.2 p 45.51 45.08 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -159.11 114.53 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -64.18 89.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -132.58 82.62 56.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -1.15 7.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.3 -30.21 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.44 HD13 ' OD1' ' A' ' 92' ' ' ASN . 64.7 mt -68.3 -21.4 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.37 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.86 -51.11 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -63.95 -48.26 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.16 29.1 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 101' ' ' LEU . 10.8 p -132.0 145.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 118.76 -179.72 16.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt -51.05 -46.35 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.7 mmt -53.12 -56.12 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -56.79 95.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -129.26 -79.83 0.24 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.23 32.48 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.5 m -78.06 118.18 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' GLY . 1.5 t -132.42 160.28 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -117.29 -53.14 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -96.02 138.2 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.78 -64.68 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t 45.77 38.02 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -141.7 146.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.67 133.21 2.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -123.86 -30.58 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 16.6 m -140.1 107.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp -123.87 151.31 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 26' ' ' ARG . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 32' ' ' ASP . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.51 165.28 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.63 -55.5 28.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -95.57 84.44 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.81 82.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.564 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -39.95 -33.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -66.04 159.93 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -114.59 161.62 17.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 -108.06 -50.68 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 HD12 ' A' ' 122' ' ' LEU . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.887 ' HB2' HD11 ' A' ' 80' ' ' ILE . 15.4 t -97.25 150.3 21.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -74.15 153.05 88.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.76 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -43.23 -55.31 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.24 119.2 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 43.4 m-85 -134.02 8.1 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -87.81 -16.81 33.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.4 pt -105.5 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 m -100.54 152.91 19.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLY . 4.7 pt20 -57.44 155.05 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . 38.21 67.99 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 73' ' ' ASN . 5.8 t -156.65 130.7 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' SER . 3.6 m120 -33.13 96.47 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.699 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -175.21 1.09 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -113.6 -178.25 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.887 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -101.22 114.82 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -92.66 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.44 55.41 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -130.14 178.64 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.5 p -51.88 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -116.61 176.54 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 m170 60.96 49.48 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.75 81.63 5.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.84 4.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.5 t -96.98 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -91.1 -40.09 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -62.15 -16.09 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.53 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -76.46 -69.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 156.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.6 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.98 -176.58 20.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.487 HG21 ' HA2' ' A' ' 105' ' ' GLY . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.431 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 122' ' ' LEU . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' MET . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.603 HD12 HD22 ' A' ' 53' ' ' LEU . 7.9 mp -56.1 -44.36 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.5 mmt -42.3 -49.61 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.1 p -51.67 134.47 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.01 -171.54 37.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 99.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.2 t -89.11 131.42 35.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.5 m 53.66 44.16 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p 47.26 41.76 12.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -129.34 108.9 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.91 65.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -92.61 176.7 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m 54.27 47.91 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 53.77 -96.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.4 mtm -37.29 130.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.0 -45.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -145.83 143.96 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' VAL . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 86' ' ' TYR . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.782 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.671 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD21 ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.2 t-20 -145.76 172.13 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ASN . 10.6 tm-20 -36.88 -45.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.9 t -124.09 127.85 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -163.18 108.74 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -51.4 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -96.17 149.26 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -95.61 133.79 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -52.76 -67.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 36' ' ' LEU . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 80' ' ' ILE . 17.0 t -91.53 150.93 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -60.48 154.7 53.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.66 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 62.06 38.49 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.77 48.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -99.13 46.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.9 p -105.79 -36.53 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -49.04 -43.38 40.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.76 175.85 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -118.32 145.05 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -39.29 126.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 154.86 -72.25 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 158.29 36.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -56.55 139.62 75.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.35 27.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -108.41 149.16 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HG23 ' A' ' 81' ' ' THR . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.492 HG23 HG22 ' A' ' 79' ' ' ILE . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 18' ' ' THR . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 16' ' ' HIS . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 -127.69 120.04 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -66.88 -43.31 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.63 -112.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -146.48 134.02 20.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.8 p -174.58 151.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -48.23 129.7 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -37.97 126.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -121.46 93.78 48.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 53.5 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.33 -46.51 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -93.41 -28.85 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.4 -40.29 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.87 -30.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.5 p -66.54 -54.97 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.871 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 144.34 34.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.444 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 101' ' ' LEU . 7.6 p -129.11 123.45 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.07 179.96 15.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.871 HG21 ' HA2' ' A' ' 105' ' ' GLY . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? -47.76 -54.37 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.6 mtm -51.91 -49.62 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 t -72.35 110.99 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 148.31 158.8 8.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.83 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -104.35 127.63 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t -126.56 156.31 41.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -63.92 121.98 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -97.49 131.47 44.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 178.98 41.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -104.75 173.55 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -46.8 -60.14 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.61 73.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.07 163.72 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -121.56 -54.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp -168.51 152.06 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 26' ' ' ARG . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CB ' HG22 ' A' ' 88' ' ' VAL . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB2' HG12 ' A' ' 15' ' ' VAL . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.728 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 36' ' ' LEU . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 30' ' ' ARG . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 38' ' ' LEU . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 37' ' ' THR . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.28 144.18 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -81.44 41.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 p -123.16 112.5 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.27 -157.75 50.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 m -115.11 94.49 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -159.29 132.02 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -114.27 169.3 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 -94.08 -50.73 5.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.78 HG22 HD11 ' A' ' 56' ' ' ILE . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 121' ' ' ALA . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 HG22 ' A' ' 51' ' ' ILE . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' HD11 ' A' ' 80' ' ' ILE . 34.5 t -84.87 178.57 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -91.03 150.67 42.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.73 -3.74 12.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -45.44 -43.13 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.47 118.06 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 62' ' ' PRO . 28.1 m-85 -123.98 -32.36 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.2 p -89.5 86.32 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' OD1' HG23 ' A' ' 68' ' ' ILE . 2.8 p30 -119.5 -50.36 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 71' ' ' GLY . 2.3 pp -92.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 t -126.21 -46.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -126.32 47.14 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.793 ' H ' HD13 ' A' ' 68' ' ' ILE . . . -95.19 128.94 9.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.9 t -47.02 -59.5 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.79 144.08 48.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -164.5 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -117.15 176.93 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG21 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -114.67 120.23 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -103.36 46.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.65 45.82 23.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -82.49 136.12 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.8 m -130.04 42.55 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.1 p -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -95.62 53.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 100' ' ' VAL . 57.2 t30 -81.07 121.12 80.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.93 36.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' ND2' ' A' ' 98' ' ' ASN . 99.1 t -70.2 -49.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.0 mt -54.28 -45.39 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.68 -17.13 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.41 74.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.9 p -82.03 -19.85 39.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.44 53.75 1.42 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.2 t -151.84 132.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.39 -174.95 19.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.57 -41.44 30.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.9 mmt -59.71 -60.1 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -47.66 104.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 119.53 -158.42 15.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.97 31.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 t -103.02 91.66 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -46.2 -59.33 2.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.64 119.38 37.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.923 0.392 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -107.55 151.16 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.49 46.61 1.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -46.45 -50.65 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -69.97 120.3 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.69 -76.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.79 134.57 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.53 -56.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? -152.47 153.98 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' HG22 ' A' ' 88' ' ' VAL . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.773 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 30' ' ' ARG . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -119.39 174.91 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.05 34.19 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 p -107.99 166.93 10.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.1 1.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.0 m -143.16 158.93 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -34.69 147.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -179.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -119.2 -58.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.701 HG22 HD11 ' A' ' 56' ' ' ILE . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t -102.69 158.2 16.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -80.36 159.6 69.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.53 3.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -52.09 -41.31 62.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.22 113.47 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.05 40.37 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.5 p -88.16 -43.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' OD1' ' CE2' ' A' ' 87' ' ' PHE . 26.4 m120 -38.83 -44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.8 pt -115.85 173.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -114.5 -50.01 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.61 150.69 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.28 -159.46 28.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -125.07 -177.73 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 35.5 m120 62.37 54.17 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 54.1 Cg_endo -69.7 165.51 30.65 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -94.1 155.12 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 78' ' ' GLU . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG21 ' CH2' ' A' ' 29' ' ' TRP . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.67 ' OE2' HG22 ' A' ' 106' ' ' VAL . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -101.33 110.01 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -78.51 -50.89 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.78 -99.62 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -107.26 90.19 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.2 t -118.87 42.77 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.6 p -62.87 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -121.23 80.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.432 ' CG ' HD12 ' A' ' 101' ' ' LEU . 7.6 m120 -129.53 78.89 74.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.59 -42.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.432 HD12 ' CG ' ' A' ' 98' ' ' ASN . 89.8 mt -62.94 -46.58 87.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.49 -41.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.07 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.8 p -79.16 -44.48 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.26 39.5 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.67 HG22 ' OE2' ' A' ' 90' ' ' GLU . 75.4 t -124.44 98.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.83 157.95 9.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' A' ' 114' ' ' TRP . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.79 -40.88 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.57 -61.97 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.1 p -51.27 156.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 147.45 133.72 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.12 25.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 p -81.21 173.83 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.8 m -114.4 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -41.5 153.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.63 161.09 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 137.56 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -159.18 107.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -132.77 101.09 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.9 -178.61 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.76 154.59 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.66 -50.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? -140.84 142.34 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' O ' HD12 ' A' ' 36' ' ' LEU . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HG22 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CE1' ' HA ' ' A' ' 47' ' ' TYR . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.21 174.83 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -112.4 31.54 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -106.5 44.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 95.64 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -161.43 167.8 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -68.59 146.79 52.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.1 p90 -57.81 157.06 7.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 -90.35 -48.98 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 36' ' ' LEU . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 ' OD1' ' A' ' 82' ' ' ASP . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 60' ' ' SER . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.2 t -73.96 168.17 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -95.41 161.09 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.694 0.759 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.82 -9.17 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.619 2.213 . . . . 0.0 112.333 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -59.22 -31.99 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -62.39 106.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 52.5 m-85 -130.29 48.39 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -110.49 1.56 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.46 41.4 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 pt -113.47 -1.81 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . 63.0 m -47.92 176.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 13.9 tt0 -34.35 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.69 110.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -82.37 47.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER -133.52 73.9 72.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.43 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.258 . . . . 0.0 112.369 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -123.06 143.87 49.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.507 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 HG23 ' A' ' 81' ' ' THR . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 79' ' ' ILE . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' OD1' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.723 ' H ' HG23 ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -95.88 127.63 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -110.06 -31.1 7.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.73 89.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -88.85 -42.79 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' SER . 39.9 p -144.47 168.84 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 3.3 m -34.84 -58.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 96' ' ' SER . 14.1 m80 -149.99 111.28 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.7 124.13 24.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.29 25.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.99 -53.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 102' ' ' ALA . 1.7 pp -42.58 -41.91 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.713 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -77.13 -44.21 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.87 -47.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.7 p -86.22 -49.8 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.38 38.85 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.25 89.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 101' ' ' LEU . . . -179.5 173.74 45.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt -61.49 -48.2 82.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 56.8 mtm -42.43 -55.53 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.1 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.81 -163.21 47.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 157.22 61.12 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.747 2.298 . . . . 0.0 112.319 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 p -85.47 135.6 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.2 m -136.97 127.32 26.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -126.1 116.66 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 m -56.39 -41.39 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.06 126.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -84.88 150.91 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -125.13 148.07 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.85 -134.71 49.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.42 142.72 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' HG ' ' A' ' 31' ' ' LEU . 14.1 m -127.25 -36.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -152.72 135.16 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' HG11 ' A' ' 88' ' ' VAL . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 9' ' ' VAL . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 9.7 t-20 -171.57 161.42 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.14 -40.78 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.0 m -124.81 100.89 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.9 -142.69 4.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.5 m -51.64 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -71.71 -65.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -154.4 135.65 14.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 -65.38 -75.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 80' ' ' ILE . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.623 HG21 ' OE2' ' A' ' 115' ' ' GLU . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 t -110.33 -179.27 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -88.9 144.34 32.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.3 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' PRO . 13.3 ptm180 -36.71 -36.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.62 104.7 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ASN . 39.6 m-85 -123.07 -31.49 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.1 p -37.06 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' PHE . 5.2 m120 -47.07 -47.95 22.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 69' ' ' SER . 2.4 pp -92.76 -178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.508 ' N ' HD12 ' A' ' 68' ' ' ILE . 1.1 t -123.22 -62.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 21.4 pt20 -80.48 -53.84 6.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD13 ' A' ' 68' ' ' ILE . . . 106.01 42.94 1.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.9 m -65.16 -71.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 1.1 m120 -120.11 79.92 26.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -176.25 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -105.93 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.482 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 57' ' ' LEU . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.78 HG21 ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 73' ' ' ASN . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.1 107.5 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 92' ' ' ASN . 1.4 p-10 -98.9 36.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.47 78.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -132.53 140.07 48.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.4 m -45.43 142.01 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 m -68.01 176.05 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 m80 49.69 54.07 11.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.445 ' OD1' HD23 ' A' ' 101' ' ' LEU . 2.7 t-20 -127.71 72.04 78.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 101' ' ' LEU . 34.4 m -87.11 -47.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.61 -23.93 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -41.54 59.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.6 -42.47 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -61.99 -47.59 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.463 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 127.25 18.67 2.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 107' ' ' GLY . 14.7 p -113.44 164.02 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 106' ' ' VAL . . . 78.52 166.1 29.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.599 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.785 ' HA ' HE22 ' A' ' 112' ' ' GLN . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 114' ' ' TRP . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.785 HE22 ' HA ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.683 ' CD1' HG22 ' A' ' 110' ' ' VAL . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 59' ' ' ILE . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.515 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 119' ' ' ARG . 4.9 mp -62.75 -8.23 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.6 mtm -92.73 -47.97 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -58.36 106.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.87 -155.86 16.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.23 17.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -161.91 154.2 19.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -108.2 149.06 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -163.22 139.35 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -104.48 132.52 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 132.58 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -76.16 136.77 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -67.86 -33.15 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.44 58.55 12.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 mmt -90.67 -55.11 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 17.0 m -141.72 109.16 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -135.04 124.55 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.833 ' HB2' HG12 ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 32' ' ' ASP . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 51' ' ' ILE . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.89 162.99 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.43 -51.23 60.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -95.67 133.99 39.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.87 150.65 5.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -93.66 -54.15 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -38.09 140.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -114.88 136.94 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -56.18 -67.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 36' ' ' LEU . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' HG23 ' A' ' 51' ' ' ILE . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.3 t -80.83 -177.97 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -126.24 156.95 71.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.75 1.88 4.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -67.85 -36.2 79.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 98.59 5.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 3.6 m-85 -127.12 48.38 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.8 p -109.26 -33.12 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -65.89 -24.41 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.8 pt -72.52 -3.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.0 t -45.72 -55.62 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -102.53 42.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.24 15.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -124.67 -62.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -87.53 119.59 70.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.647 0.736 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.296 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 -129.21 169.74 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -94.32 133.6 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -133.88 41.73 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.69 94.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -84.4 -55.5 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -49.05 -60.28 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 159.74 28.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -122.68 149.67 43.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 101' ' ' LEU . 23.1 t30 -162.89 105.03 1.03 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 54.1 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' OD1' ' A' ' 98' ' ' ASN . 7.2 p -58.74 -38.69 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 98' ' ' ASN . 57.3 mt -59.01 -43.59 91.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -57.05 -46.2 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.3 p -69.24 -53.8 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.95 36.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.06 149.33 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.23 179.4 19.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.08 -55.19 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 124' ' ' SER . 19.8 ptp -81.19 -43.19 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 123' ' ' MET . 63.5 m -83.15 108.15 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -175.58 -155.35 12.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.17 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.1 p -38.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 m -52.77 -46.19 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -59.19 91.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.38 168.97 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.42 129.53 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -100.92 135.47 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -83.27 97.85 9.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.68 -125.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.425 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptm -79.21 140.11 37.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -107.15 -67.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp -150.22 155.54 39.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 90' ' ' GLU . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 36' ' ' LEU . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 30' ' ' ARG . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.61 -41.17 69.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -130.3 143.87 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.89 -103.31 1.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 m -39.67 157.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -51.81 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.76 139.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 72.0 t80 -71.47 -67.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD22 ' CB ' ' A' ' 121' ' ' ALA . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 60' ' ' SER . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.859 ' HB2' HD11 ' A' ' 80' ' ' ILE . 36.0 t -69.18 174.26 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -106.36 162.3 20.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 4.94 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -81.04 -25.63 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -120.19 48.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -135.0 31.95 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 t -101.94 5.63 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.79 40.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.94 -2.5 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -62.59 150.36 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 46.42 41.25 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.4 163.0 21.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -99.78 -47.88 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.45 98.75 37.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 158.86 55.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' A' ' 65' ' ' PHE . 42.5 p-80 -90.68 162.4 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.588 ' HG ' ' HD1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.745 HG13 HG13 ' A' ' 80' ' ' ILE . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 88' ' ' VAL . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -123.58 143.01 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -125.21 -50.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.76 -62.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 92.74 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 t -93.13 -57.22 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.6 t -82.05 -49.09 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -44.65 -49.21 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 101' ' ' LEU . 22.9 t-20 -119.5 86.88 35.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 91.2 t -80.32 -50.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 98' ' ' ASN . 6.1 mp -55.57 -51.51 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.92 -42.07 97.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.12 -40.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.3 p -87.24 -51.87 5.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.59 -29.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.5 t -64.65 100.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 147.47 158.64 7.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.451 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.577 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt -46.94 -59.41 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.6 mtt -63.82 -48.25 77.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -63.76 96.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.39 158.83 31.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.79 34.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -113.89 -59.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -77.95 143.26 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -90.04 155.56 18.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -68.28 -53.01 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 -157.51 28.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -126.03 41.02 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -55.14 131.91 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.44 44.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -44.22 164.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.94 -57.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 26' ' ' ARG . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.694 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.507 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' LEU . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 30' ' ' ARG . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -124.2 165.22 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -67.16 -21.83 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.0 p -118.78 115.9 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.15 152.62 6.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' TYR . 22.9 t -101.78 -39.21 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -50.16 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' SER . 1.6 p90 -55.86 154.42 7.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -89.4 -60.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.783 ' OE1' HG22 ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.857 ' CB ' HD11 ' A' ' 80' ' ' ILE . 11.8 t -93.72 151.4 19.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -73.79 159.8 83.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.755 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.68 3.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -79.21 45.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.17 43.94 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -80.54 -41.69 23.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' ASN . 33.1 p -46.67 -43.43 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -35.96 -42.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.9 pt -99.1 173.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -119.04 -62.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -171.78 136.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.46 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -159.45 169.41 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.22 152.55 38.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 -146.38 154.49 41.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.857 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.783 HG22 ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 80' ' ' ILE . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.507 HG21 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.438 ' OE1' HG21 ' A' ' 15' ' ' VAL . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 17.0 m-20 -100.63 115.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -98.09 42.67 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.42 66.18 2.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.83 111.76 13.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.9 p -73.05 -51.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.9 m -134.57 132.13 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -39.54 109.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 100' ' ' VAL . 11.7 t-20 -109.37 117.43 53.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.706 0.765 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -14.72 36.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 98' ' ' ASN . 8.3 p -81.16 -25.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.53 -47.5 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -59.35 -42.85 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.63 -46.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.5 p -84.08 -44.96 13.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.76 47.82 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.86 101.2 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.12 -174.57 26.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.902 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 119' ' ' ARG . 19.1 mt -46.84 -62.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 ptm -60.8 -31.07 70.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.3 t -102.84 43.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.48 -86.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.02 6.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -54.04 152.66 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 p -111.54 175.83 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -141.6 141.37 33.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -115.36 41.16 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -69.4 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.05 128.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.4 143.73 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 80.55 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.496 ' HG3' HG22 ' A' ' 9' ' ' VAL . 21.4 ptp -123.23 -41.11 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.0 m -139.17 108.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -136.7 145.08 44.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.742 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 46' ' ' LYS . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.3 165.4 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.62 -34.03 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 m -134.9 154.3 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.95 48.94 5.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.562 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -175.14 -177.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -134.8 -36.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -175.79 142.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 -94.62 -60.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.74 HG22 HD11 ' A' ' 56' ' ' ILE . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -73.67 123.13 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.501 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -53.07 -60.06 7.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.4 Cg_endo -69.8 -177.95 2.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ASP . 8.9 ptp180 -119.43 40.58 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 34.08 51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -57.57 -13.62 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -69.73 -12.95 62.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -115.24 54.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 pt -115.86 -6.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -50.21 -68.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' GLY . 34.5 tp60 -53.03 116.82 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . -38.48 103.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 m -162.17 172.59 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 92' ' ' ASN . 1.1 m120 -97.76 144.6 28.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 160.89 48.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 -104.2 171.58 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.425 HD21 HD13 ' A' ' 108' ' ' LEU . 4.5 m-20 -122.25 104.04 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 3.1 p30 -57.93 -47.09 83.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.31 59.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -128.29 165.9 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -134.54 57.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 t -162.19 176.37 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 17.7 m80 -94.85 106.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.89 85.82 2.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 97' ' ' HIS . 53.7 Cg_endo -69.74 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.76 -37.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.7 mt -64.85 -54.18 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -36.03 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.54 -48.65 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -84.49 -25.07 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 105.46 52.48 0.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.5 136.43 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.371 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.25 179.77 17.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.425 HD13 HD21 ' A' ' 91' ' ' ASN . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.473 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt -47.8 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.515 ' SD ' ' N ' ' A' ' 124' ' ' SER . 0.0 OUTLIER -78.86 -52.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.515 ' N ' ' SD ' ' A' ' 123' ' ' MET . 1.4 t 33.03 34.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 123' ' ' MET . . . -150.17 130.06 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 136.4 33.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.5 t -69.34 -51.69 34.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -126.92 117.17 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 173.25 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -137.81 140.8 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.06 130.9 4.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -74.91 164.39 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -126.78 -40.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -43.33 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.511 ' HE3' ' OE1' ' A' ' 11' ' ' GLU . 4.2 ppp? -96.83 158.25 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 32' ' ' ASP . 53.7 t -106.29 -73.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -150.7 157.7 43.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' OE1' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.505 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' HG12 ' A' ' 15' ' ' VAL . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' MET . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 9' ' ' VAL . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -151.17 174.03 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -60.44 -45.25 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -99.15 46.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.04 116.48 4.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.6 p -65.1 -59.01 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -75.44 147.82 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -89.66 150.2 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 -68.23 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 HD23 ' A' ' 36' ' ' LEU . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -80.89 134.07 35.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -71.48 -59.96 2.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 110.852 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.66 ' HD2' HG22 ' A' ' 68' ' ' ILE . 16.7 ptp180 -91.37 38.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' PHE . 1.6 m-20 43.54 25.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' C ' HD12 ' A' ' 68' ' ' ILE . 12.0 m-85 35.5 43.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -112.45 -37.94 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.01 59.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.828 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -124.32 -6.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.9 m -99.3 -41.7 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -135.08 124.46 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.0 168.5 37.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -123.23 -69.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -96.07 133.34 25.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.571 0.701 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -177.95 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 85' ' ' VAL . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 80' ' ' ILE . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -112.06 115.83 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.63 -32.58 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.69 -58.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.83 137.67 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -155.91 131.56 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -158.24 135.37 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.7 m170 44.61 41.17 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.81 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.9 86.01 12.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.94 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.4 t -84.85 -47.72 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -85.68 -46.03 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -52.17 -41.99 63.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.93 -37.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.0 p -82.13 -50.21 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.526 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 126.55 41.3 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.5 p -129.49 139.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.59 176.3 18.38 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.526 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.43 -58.2 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 7.1 mtm -44.14 -57.54 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 m -63.07 149.39 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.48 -158.46 30.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.87 12.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.6 t -78.62 110.97 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -128.01 159.28 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -43.31 109.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p 45.67 44.94 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.23 97.76 1.03 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -98.38 173.76 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -104.4 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 82.95 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -142.13 151.78 42.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.2 m -63.39 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -115.71 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 13' ' ' TRP . 32.8 m-70 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 36' ' ' LEU . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 30' ' ' ARG . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -146.89 172.92 12.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -85.25 56.16 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -86.64 -70.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.87 -67.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 t -58.56 -71.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.17 156.5 36.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -142.37 165.67 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -85.2 -60.71 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.529 HD12 HD23 ' A' ' 36' ' ' LEU . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -92.53 165.97 12.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.3 m -89.66 157.73 46.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.6 26.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -39.96 -33.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 66' ' ' THR . 12.6 t0 -70.3 108.2 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.79 21.83 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' OD1' ' A' ' 64' ' ' ASP . 13.1 t -97.05 -1.66 44.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.5 -36.71 68.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.5 pt -117.22 179.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 m -104.14 -39.14 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -152.7 136.18 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.51 139.13 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -100.79 -22.52 14.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -122.72 82.66 48.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 178.57 4.44 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -98.88 173.8 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.567 HG13 HG13 ' A' ' 85' ' ' VAL . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 80' ' ' ILE . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER -100.07 123.89 44.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.617 ' ND2' HD13 ' A' ' 101' ' ' LEU . 7.4 p30 -86.96 41.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.22 29.93 2.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -163.49 138.82 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 m -129.68 50.08 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -85.75 11.63 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 t60 65.1 35.51 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.4 121.38 16.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.856 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.79 -21.63 33.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 101' ' ' LEU . 15.0 p -81.92 -40.58 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.617 HD13 ' ND2' ' A' ' 92' ' ' ASN . 54.2 mt -64.97 -68.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.74 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 99' ' ' PRO . . . -50.0 -52.2 35.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -83.62 -14.75 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.43 26.42 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -115.11 136.82 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 164.47 11.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 108' ' ' LEU . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp -45.05 -45.65 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.8 mmt -48.95 -44.33 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 t -47.97 115.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -118.35 158.47 14.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.44 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.2 p -57.09 -48.23 79.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.4 t -90.9 -44.89 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -74.8 150.52 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -123.19 116.27 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 88.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -111.0 155.24 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -40.12 130.73 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -52.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.24 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.6 m -140.05 105.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp -148.38 123.33 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.899 HG12 ' HB2' ' A' ' 26' ' ' ARG . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.411 HG22 ' HD1' ' A' ' 86' ' ' TYR . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.899 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.615 ' CE1' ' OE1' ' A' ' 40' ' ' GLN . 27.5 m-70 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 36' ' ' LEU . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 51' ' ' ILE . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HG22 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.615 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.87 158.77 43.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.18 46.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -172.36 155.97 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 -172.4 19.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 m -118.36 -56.24 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.66 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -133.81 150.95 51.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 -62.43 -65.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.59 HD12 HD23 ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -119.19 133.3 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.8 -67.87 0.18 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.856 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 53.7 Cg_endo -69.79 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 62' ' ' PRO . 11.5 mmt180 71.33 25.0 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -122.71 41.81 3.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -100.07 42.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 t -125.37 -17.37 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -80.4 -24.97 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.8 pt -99.29 -6.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -61.6 -36.64 81.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -96.27 -46.83 6.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.31 50.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -118.86 175.3 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.69 143.66 79.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -116.81 179.96 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.493 HG22 HG23 ' A' ' 81' ' ' THR . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 79' ' ' ILE . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HD1' HG22 ' A' ' 18' ' ' THR . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.48 140.51 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -84.1 41.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.06 -65.74 1.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 112.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.6 t -104.53 79.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -146.09 166.05 27.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -76.68 125.47 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -162.24 111.41 1.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.47 30.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 91.0 t -72.63 -47.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 mt -57.26 -61.09 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.79 ' HB2' ' OD1' ' A' ' 109' ' ' ASP . . . -52.45 -38.73 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -33.99 -48.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -82.11 -41.72 20.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.667 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 120.57 34.37 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.06 123.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.37 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.554 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.79 ' OD1' ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.667 HG21 ' HA2' ' A' ' 105' ' ' GLY . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.596 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.14 -55.72 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.3 mtp -46.61 -61.0 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -140.27 148.89 42.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.76 141.53 12.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.03 4.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -42.89 -48.1 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -87.85 -48.13 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -75.64 126.48 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.83 -73.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -104.89 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -156.89 116.05 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -175.46 40.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mmt -45.06 128.76 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 32' ' ' ASP . 93.8 t -49.63 -53.44 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp -156.32 136.8 13.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 26' ' ' ARG . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' LEU . 2.1 p-10 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.675 ' O ' HD12 ' A' ' 36' ' ' LEU . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' HA ' HG23 ' A' ' 9' ' ' VAL . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 30' ' ' ARG . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -132.48 167.87 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.31 -32.73 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 t -111.56 102.82 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.47 156.33 16.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -97.3 -49.05 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -54.87 134.23 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -93.95 156.95 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -91.39 -45.05 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 80' ' ' ILE . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB2' HD11 ' A' ' 80' ' ' ILE . 7.8 t -80.16 148.45 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -69.51 160.27 80.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.678 0.752 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -164.03 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 58.48 35.76 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -121.53 44.04 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.81 42.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.7 p -102.57 -43.69 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.58 -26.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.835 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -117.38 161.44 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' GLN . 8.0 t -98.27 134.69 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' SER . 20.8 pt20 34.28 42.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.19 95.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.42 90.56 8.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.37 31.21 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -107.24 150.73 26.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG22 HG23 ' A' ' 81' ' ' THR . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.78 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' ILE . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -104.38 114.47 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.75 42.06 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.89 121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.66 178.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -40.35 134.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.4 p -161.33 163.28 30.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -82.61 43.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -115.83 76.08 5.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.77 19.41 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.86 -38.88 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -48.83 -47.34 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -69.73 -46.51 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.19 -38.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -89.25 -59.77 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 141.89 41.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.05 97.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.92 -166.96 28.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.824 HG21 ' HA2' ' A' ' 105' ' ' GLY . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.58 -48.25 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' A' ' 124' ' ' SER . 4.5 ptm -93.52 -52.24 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 123' ' ' MET . 3.9 t -42.31 162.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.28 125.09 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.87 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 p -87.04 117.35 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.1 t -81.17 86.85 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -57.31 108.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -124.47 87.97 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.77 -64.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -45.77 130.68 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -123.17 125.22 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.49 58.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.92 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 9' ' ' VAL . 15.1 m -148.93 107.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -152.08 137.56 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 26' ' ' ARG . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 13.6 m-70 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 30' ' ' ARG . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.32 175.63 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.53 63.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 t -135.45 176.34 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 39' ' ' PHE . . . -133.33 -28.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.552 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -53.47 -67.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -96.47 118.77 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -95.94 -175.72 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -121.52 -58.51 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 121' ' ' ALA . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t -91.74 160.06 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -84.65 157.28 61.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -2.3 9.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -39.15 -54.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.67 114.52 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -126.2 57.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 p -101.22 -23.93 14.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.93 55.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.88 -178.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -163.88 160.18 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -40.38 101.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.76 53.76 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -109.46 131.31 55.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -63.06 118.04 38.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.72 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -116.3 165.17 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 78' ' ' GLU . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 80' ' ' ILE . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 29' ' ' TRP . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -100.59 120.86 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -114.43 -14.7 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.29 73.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -52.05 -43.95 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -133.38 63.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -153.13 154.57 35.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -126.92 109.0 11.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -148.33 105.01 3.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.53 26.33 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.3 t -75.33 -44.43 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.5 mt -45.66 -22.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -70.95 -47.05 61.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.26 -50.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.7 p -75.22 -45.92 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.85 38.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 p -128.34 132.11 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 114.48 170.57 16.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' ASP . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.26 -39.98 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.2 mtm -58.97 -42.39 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -63.31 -50.37 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.28 -159.13 21.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -2.71 10.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -41.16 98.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.8 p -114.75 42.12 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.71 103.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -99.13 129.11 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 113.06 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -113.65 129.66 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -100.54 119.59 38.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -107.38 133.83 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' A' ' 32' ' ' ASP . 62.7 t -98.52 -50.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 ' HB2' ' A' ' 26' ' ' ARG . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' HG12 ' A' ' 15' ' ' VAL . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' HD21 ' A' ' 38' ' ' LEU . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 36' ' ' LEU . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -126.08 170.35 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -59.93 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -48.93 163.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.73 82.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -94.78 -52.22 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -159.11 129.02 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.95 149.04 28.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -92.83 -44.78 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.426 HG23 ' OE1' ' A' ' 55' ' ' GLU . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' OE1' HG23 ' A' ' 51' ' ' ILE . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 60' ' ' SER . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.695 ' HB2' HD11 ' A' ' 80' ' ' ILE . 2.4 t -90.47 -176.86 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -104.9 142.78 25.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -9.15 25.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -55.46 -43.46 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.25 110.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.68 22.95 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.4 p -89.61 -34.92 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.03 -14.87 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 pt -114.58 -179.56 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -158.89 169.73 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.66 -19.12 47.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.64 -82.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 t -61.79 172.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -81.33 143.48 52.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -135.65 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -117.88 110.83 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -49.44 -43.08 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.35 -105.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -42.43 138.15 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -122.6 93.5 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -133.76 149.65 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 11.4 p-80 -40.39 119.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -174.29 117.33 0.34 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.75 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 101' ' ' LEU . 14.7 p -38.73 -44.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' N ' HG13 ' A' ' 100' ' ' VAL . 78.2 mt -46.01 -44.64 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.5 -46.83 21.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.26 -48.34 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.5 p -77.74 -33.6 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.64 32.1 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.3 t -135.74 145.36 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.79 170.53 13.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt -46.38 -41.91 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' SER . 39.8 mtm -72.99 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' MET . 36.9 t -35.3 121.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.98 -92.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.87 2.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -148.47 131.76 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -99.65 43.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p 39.17 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -80.99 42.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.48 56.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -114.17 146.05 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -101.16 -61.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -158.29 -38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.4 mmt -37.65 -39.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 9' ' ' VAL . 19.6 m -141.31 109.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -136.57 145.4 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HB2' HG12 ' A' ' 15' ' ' VAL . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' HA ' ' CZ3' ' A' ' 13' ' ' TRP . 75.0 m-70 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.549 ' HG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 30' ' ' ARG . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 49' ' ' LYS . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.88 175.15 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -39.32 84.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -83.28 120.07 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.64 76.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 m -71.8 100.24 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 47' ' ' TYR . 6.9 mtmp? -132.94 126.48 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER -31.92 138.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 -110.69 -36.97 5.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 37' ' ' THR . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.549 ' C ' ' HG ' ' A' ' 35' ' ' CYS . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 81' ' ' THR . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.601 ' HB2' HD11 ' A' ' 80' ' ' ILE . 19.2 t -68.6 -177.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -116.61 160.99 34.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.733 0.778 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -57.21 -44.39 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.84 107.19 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -119.55 41.79 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 67' ' ' ASN . 9.7 t -97.22 -42.92 7.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.704 ' ND2' HG23 ' A' ' 68' ' ' ILE . 4.9 p-10 -35.88 -41.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -115.27 167.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -111.34 95.17 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 56.44 41.06 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.93 108.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -38.1 -49.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 1.9 m-80 -102.71 96.28 7.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 73' ' ' ASN . 53.6 Cg_endo -69.78 176.35 6.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -110.18 150.58 28.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 81' ' ' THR . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.72 HG13 HG13 ' A' ' 85' ' ' VAL . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 HG22 ' A' ' 79' ' ' ILE . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 84' ' ' MET . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.691 ' H ' HG23 ' A' ' 83' ' ' THR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.72 HG13 HG13 ' A' ' 80' ' ' ILE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 16' ' ' HIS . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' HG21 ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -114.56 115.37 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -86.08 -44.76 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' ASP . . . 85.13 -50.38 4.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' GLY . 21.1 m-20 -37.08 -49.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.2 t -141.2 144.57 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -120.06 -61.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 98' ' ' ASN . 28.6 m80 -42.28 -43.95 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 97' ' ' HIS . 9.3 m-20 -32.86 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' HIS . 54.2 Cg_endo -69.66 -11.72 31.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 88.7 t -75.29 -48.59 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -50.71 -56.0 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.19 -44.08 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -37.01 -51.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.4 p -78.31 -42.1 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.875 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 137.83 40.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 90' ' ' GLU . 89.6 t -127.03 113.2 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.2 -178.08 19.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.875 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt -58.96 -54.24 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.0 mmt -40.91 -58.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 t -89.64 119.94 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 172.24 -84.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.428 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 140.21 42.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 1.7 t -128.65 -51.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' SER . 46.7 t -37.4 132.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -62.71 162.79 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -163.07 154.36 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 169.64 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -112.78 -53.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -94.27 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.07 -59.93 4.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -79.78 129.29 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 32' ' ' ASP . 12.4 p -56.88 -29.97 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? -172.36 128.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 ' HE ' ' A' ' 24' ' ' ARG . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' CB ' HG22 ' A' ' 88' ' ' VAL . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.682 ' HE ' HG21 ' A' ' 15' ' ' VAL . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.621 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -125.43 165.61 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -49.91 -43.48 49.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -134.69 145.47 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.43 161.09 8.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -97.17 -179.66 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 61.89 50.05 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -47.12 150.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -43.79 -55.83 4.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 56' ' ' ILE . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.676 ' CB ' HD11 ' A' ' 80' ' ' ILE . 45.4 t -125.5 121.08 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -75.21 -62.09 0.89 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 52.9 Cg_endo -69.82 -163.57 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 63.44 39.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -175.02 104.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.69 -44.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -141.54 112.03 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -107.97 -48.38 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.4 pt -124.11 -3.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -174.59 174.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.86 -62.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.65 57.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -89.27 -46.77 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -134.14 84.59 41.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.95 6.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 -114.13 160.35 19.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 81' ' ' THR . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 56' ' ' ILE . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.717 ' H ' HG23 ' A' ' 83' ' ' THR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.621 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -127.66 141.95 51.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -79.62 -44.4 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.63 -104.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -95.58 108.0 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.5 m -155.69 108.91 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -64.54 -53.73 43.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.97 136.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 p-10 -163.11 107.0 1.01 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.4 -46.04 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' ALA . 11.6 mt -83.32 -57.99 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -37.61 -39.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.77 -54.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.4 p -77.48 -17.67 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . 105.6 41.51 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' OE2' ' A' ' 90' ' ' GLU . 95.3 t -124.82 108.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 111.083 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.37 167.6 13.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CE2' ' HE2' ' A' ' 10' ' ' LYS . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 122' ' ' LEU . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 118' ' ' ILE . 9.9 mp -49.2 -47.99 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.55 -60.59 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -105.73 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.88 -95.19 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' SER . 54.2 Cg_endo -69.77 1.09 4.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' PRO . 13.3 m -34.51 135.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.2 t -157.17 121.8 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.3 m80 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.968 ' O ' HD12 ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 30' ' ' ARG . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.381 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.791 ' ND2' HD12 ' A' ' 108' ' ' LEU . 2.1 m120 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.791 HD12 ' ND2' ' A' ' 91' ' ' ASN . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 111' ' ' ALA . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.712 0.292 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 6.5 p-80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 25.2 m170 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.968 0.413 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG23 ' OE1' ' A' ' 55' ' ' GLU . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' OE1' HG23 ' A' ' 51' ' ' ILE . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 81' ' ' THR . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 56' ' ' ILE . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 56' ' ' ILE . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 84' ' ' MET . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.711 ' H ' HG23 ' A' ' 83' ' ' THR . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 26' ' ' ARG . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 22.2 m170 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 32' ' ' ASP . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 HD12 ' A' ' 122' ' ' LEU . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.887 ' HB2' HD11 ' A' ' 80' ' ' ILE . 15.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.887 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.431 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 122' ' ' LEU . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.603 HD12 HD22 ' A' ' 53' ' ' LEU . 7.9 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' VAL . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 86' ' ' TYR . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.6 m80 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.782 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.671 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD21 ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.973 0.416 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 36' ' ' LEU . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 80' ' ' ILE . 17.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HG23 ' A' ' 81' ' ' THR . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.492 HG23 HG22 ' A' ' 79' ' ' ILE . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 18' ' ' THR . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 16' ' ' HIS . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 26' ' ' ARG . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CB ' HG22 ' A' ' 88' ' ' VAL . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.1 m170 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.728 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 36' ' ' LEU . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 30' ' ' ARG . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 38' ' ' LEU . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 37' ' ' THR . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.958 0.408 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.78 HG22 HD11 ' A' ' 56' ' ' ILE . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 121' ' ' ALA . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 HG22 ' A' ' 51' ' ' ILE . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' HD11 ' A' ' 80' ' ' ILE . 34.5 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.735 0.303 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG21 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' HG22 ' A' ' 88' ' ' VAL . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 18.9 m170 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.773 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 30' ' ' ARG . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.995 0.426 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.701 HG22 HD11 ' A' ' 56' ' ' ILE . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 78' ' ' GLU . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG21 ' CH2' ' A' ' 29' ' ' TRP . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' A' ' 114' ' ' TRP . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.764 0.316 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 26.5 m170 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.732 ' O ' HD12 ' A' ' 36' ' ' LEU . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HG22 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 36' ' ' LEU . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 ' OD1' ' A' ' 82' ' ' ASP . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 60' ' ' SER . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.784 0.326 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.507 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 HG23 ' A' ' 81' ' ' THR . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 79' ' ' ILE . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.425 ' OD1' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.723 ' H ' HG23 ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' HG11 ' A' ' 88' ' ' VAL . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.7 m80 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 11.1 t30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.925 0.393 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 80' ' ' ILE . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.623 HG21 ' OE2' ' A' ' 115' ' ' GLU . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.482 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 57' ' ' LEU . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.78 HG21 ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 110' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.618 HD23 HE22 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.457 ' N ' HD23 ' A' ' 108' ' ' LEU . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 114' ' ' TRP . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.618 HE22 HD23 ' A' ' 108' ' ' LEU . 4.2 mp0 -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.683 ' CD1' HG22 ' A' ' 110' ' ' VAL . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 59' ' ' ILE . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.515 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 119' ' ' ARG . 4.9 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.736 0.303 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.833 ' HB2' HG12 ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 24.0 m170 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 32' ' ' ASP . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 51' ' ' ILE . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 36' ' ' LEU . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' HG23 ' A' ' 51' ' ' ILE . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.348 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 90' ' ' GLU . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 23.3 m170 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 36' ' ' LEU . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 30' ' ' ARG . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 72.0 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD22 ' CB ' ' A' ' 121' ' ' ALA . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 60' ' ' SER . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.859 ' HB2' HD11 ' A' ' 80' ' ' ILE . 36.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.588 ' HG ' ' HD1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.588 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.745 HG13 HG13 ' A' ' 80' ' ' ILE . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 88' ' ' VAL . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.451 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.577 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 26' ' ' ARG . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.694 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.4 m170 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.507 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' LEU . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 30' ' ' ARG . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.783 ' OE1' HG22 ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.857 ' CB ' HD11 ' A' ' 80' ' ' ILE . 11.8 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.857 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.783 HG22 ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 80' ' ' ILE . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.507 HG21 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.438 ' OE1' HG21 ' A' ' 15' ' ' VAL . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 17.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.902 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 119' ' ' ARG . 19.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 21.9 m80 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.742 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.74 HG22 HD11 ' A' ' 56' ' ' ILE . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.728 0.299 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.425 HD21 HD13 ' A' ' 108' ' ' LEU . 4.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.425 HD13 HD21 ' A' ' 91' ' ' ASN . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.303 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.505 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 32.0 m80 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' MET . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 HD23 ' A' ' 36' ' ' LEU . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.763 0.316 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 85' ' ' VAL . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 80' ' ' ILE . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 23.4 m170 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 36' ' ' LEU . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 30' ' ' ARG . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.937 0.398 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.529 HD12 HD23 ' A' ' 36' ' ' LEU . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.567 HG13 HG13 ' A' ' 85' ' ' VAL . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 80' ' ' ILE . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 108' ' ' LEU . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.899 HG12 ' HB2' ' A' ' 26' ' ' ARG . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 HG22 ' HD1' ' A' ' 86' ' ' TYR . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.899 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' OE1' ' A' ' 40' ' ' GLN . 16.8 m170 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 36' ' ' LEU . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 51' ' ' ILE . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HG22 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.959 0.409 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.59 HD12 HD23 ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 1.8 p-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.493 HG22 HG23 ' A' ' 81' ' ' THR . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 79' ' ' ILE . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HD1' HG22 ' A' ' 18' ' ' THR . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 111' ' ' ALA . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.596 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 26' ' ' ARG . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.1 p30 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 14.4 m80 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.675 ' O ' HD12 ' A' ' 36' ' ' LEU . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 30' ' ' ARG . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 80' ' ' ILE . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB2' HD11 ' A' ' 80' ' ' ILE . 7.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.444 HG22 HG23 ' A' ' 81' ' ' THR . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.78 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' ILE . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.742 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 26' ' ' ARG . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 8.1 m80 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 30' ' ' ARG . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' GLN . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 121' ' ' ALA . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 78' ' ' GLU . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 80' ' ' ILE . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 29' ' ' TRP . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.565 HD11 HE21 ' A' ' 112' ' ' GLN . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.565 HE21 HD11 ' A' ' 108' ' ' LEU . 71.0 mm-40 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.731 0.301 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 ' HB2' ' A' ' 26' ' ' ARG . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' HG12 ' A' ' 15' ' ' VAL . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 21.0 m80 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' HD21 ' A' ' 38' ' ' LEU . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 36' ' ' LEU . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.944 0.402 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.426 HG23 ' OE1' ' A' ' 55' ' ' GLU . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' OE1' HG23 ' A' ' 51' ' ' ILE . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 60' ' ' SER . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.695 ' HB2' HD11 ' A' ' 80' ' ' ILE . 2.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.2 m80 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.549 ' HG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 30' ' ' ARG . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 49' ' ' LYS . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 37' ' ' THR . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.549 ' C ' ' HG ' ' A' ' 35' ' ' CYS . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 81' ' ' THR . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.601 ' HB2' HD11 ' A' ' 80' ' ' ILE . 19.2 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 81' ' ' THR . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.72 HG13 HG13 ' A' ' 85' ' ' VAL . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 HG22 ' A' ' 79' ' ' ILE . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 84' ' ' MET . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.691 ' H ' HG23 ' A' ' 83' ' ' THR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.72 HG13 HG13 ' A' ' 80' ' ' ILE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 16' ' ' HIS . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' HG21 ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 ' HE ' ' A' ' 24' ' ' ARG . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' CB ' HG22 ' A' ' 88' ' ' VAL . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.682 ' HE ' HG21 ' A' ' 15' ' ' VAL . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 28.2 m80 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.621 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB2' HD12 ' A' ' 36' ' ' LEU . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.953 0.406 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 56' ' ' ILE . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.676 ' CB ' HD11 ' A' ' 80' ' ' ILE . 45.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.748 0.308 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 81' ' ' THR . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 56' ' ' ILE . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.717 ' H ' HG23 ' A' ' 83' ' ' THR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.532 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.621 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CE2' ' HE2' ' A' ' 10' ' ' LYS . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 122' ' ' LEU . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 118' ' ' ILE . 9.9 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -150.2 156.93 42.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.27 58.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 96.65 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -153.95 169.28 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -58.13 125.33 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.79 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.2 -40.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.425 ' O ' HG13 ' A' ' 9' ' ' VAL . 34.2 mmt -62.4 -37.15 84.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 8' ' ' MET . 0.4 OUTLIER -156.52 106.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -135.68 124.99 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -135.65 150.65 49.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.41 169.14 30.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -84.12 122.69 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.5 tpp -128.92 151.43 49.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.77 135.07 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -144.16 176.3 9.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 36.4 p90 -158.24 141.8 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.2 p -91.39 163.15 14.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 t -64.61 -44.98 88.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -71.64 -51.86 20.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.6 83.26 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.7 -17.06 7.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tt -48.93 100.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -51.58 149.41 4.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 21.5 mtmt -138.18 132.77 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 13.3 ttm180 -112.97 119.44 37.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.3 m80 -146.1 159.43 43.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.42 91.21 1.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -71.15 133.25 46.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.968 ' O ' HD12 ' A' ' 36' ' ' LEU . 27.0 mtt180 -129.57 128.5 42.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -127.05 149.9 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -152.84 179.18 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -72.69 -0.42 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -102.98 -68.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -160.0 157.84 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 30' ' ' ARG . 38.7 tp -89.47 137.28 32.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -134.56 156.74 48.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.83 137.57 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.15 106.09 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -45.12 -38.09 4.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -148.66 166.58 27.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -77.07 -27.55 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -37.86 -66.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.86 63.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.6 m -110.79 160.87 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -35.33 132.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -50.05 161.95 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' CD1' ' A' ' 48' ' ' TYR . 2.0 t80 -96.53 -64.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -146.3 143.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.46 121.59 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 21.2 mt -114.04 93.6 30.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.728 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' ILE . 53.7 Cg_endo -69.71 133.69 26.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.8 mt -39.29 -31.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -60.48 -55.38 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -46.82 -57.25 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.0 mt -50.52 94.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.86 -55.71 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -170.08 -178.18 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.17 138.56 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 80' ' ' ILE . 3.8 t -82.67 171.81 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 p -85.65 151.06 55.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 62' ' ' PRO . 59.6 mtp180 -35.93 -61.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -58.8 105.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -110.99 57.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -147.36 107.75 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -111.29 -56.9 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.3 pt -109.79 174.19 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 m -52.02 -50.11 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -155.43 137.31 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.72 38.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -125.08 38.87 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 92' ' ' ASN . 17.5 m120 -126.44 72.0 72.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 174.11 9.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 3.0 p-80 -93.73 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.5 t -104.29 -45.03 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -149.21 171.16 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE2' ' NE2' ' A' ' 75' ' ' HIS . 33.9 mt-10 -138.25 136.17 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.6 mt -95.02 103.65 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -86.84 125.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -131.84 159.18 39.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -25.15 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -78.84 -68.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.6 mtm -156.02 169.92 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.69 132.14 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -114.65 133.56 55.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 5.6 m-85 -104.3 111.19 23.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.19 143.74 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.98 140.74 7.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -143.54 121.21 11.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.791 ' ND2' HD12 ' A' ' 108' ' ' LEU . 2.1 m120 -100.13 110.18 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 38.8 m-20 -79.92 -33.99 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.45 63.59 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -174.25 119.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -108.76 79.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -160.31 149.03 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.0 112.93 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.43 87.71 49.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.83 3.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.9 t -95.83 -48.16 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.604 HD12 ' C ' ' A' ' 101' ' ' LEU . 1.1 pp -93.41 -28.94 15.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.36 -13.02 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.08 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.9 p -62.64 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.855 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 114.44 12.03 11.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.88 139.12 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.17 167.82 13.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.791 HD12 ' ND2' ' A' ' 91' ' ' ASN . 3.1 tt -77.41 -40.95 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.62 -58.12 7.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.855 HG21 ' HA2' ' A' ' 105' ' ' GLY . 13.7 p -58.44 -42.45 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -58.32 -48.78 79.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -47.8 -38.64 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.4 t -65.69 -50.78 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -56.74 -57.29 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.85 -42.77 27.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.75 -60.17 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.1 mt -51.81 -37.41 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -79.27 -42.55 25.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -61.36 -29.26 69.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.36 -27.65 62.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.81 -45.97 90.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -39.27 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.0 t -39.3 -54.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -70.79 154.09 51.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.37 35.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 64.8 p -98.6 159.38 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.8 p -59.26 125.91 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -110.34 -13.6 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -115.12 -48.86 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.82 66.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -165.45 112.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -138.99 130.27 26.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.74 -67.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 ttm -78.53 124.79 28.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.837 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 32' ' ' ASP . 66.2 t -101.53 -56.65 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 14.9 tttp -154.22 157.51 38.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.5 159.99 28.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.18 166.08 12.19 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -75.81 122.13 23.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tpp -134.16 158.56 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 90' ' ' GLU . 30.0 m -119.45 139.29 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 6.5 p-80 -143.77 158.74 43.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 48.0 p90 -142.89 150.96 40.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -97.0 175.15 6.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 t -78.42 -54.79 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -62.05 -51.93 66.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -109.53 100.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.9 45.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 24' ' ' ARG . 22.5 tp -99.32 76.14 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.7 ttp85 -35.75 135.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -123.87 128.95 50.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 52.5 ttp180 -106.37 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 25.2 m170 -143.21 163.12 33.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -73.42 88.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.17 126.01 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -128.56 129.11 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -123.49 143.12 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' HA ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -141.86 177.21 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -67.84 -6.25 20.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -98.28 -69.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.77 159.97 35.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.99 116.77 23.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 m -111.51 156.45 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.29 153.2 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' GLN . 49.5 m-85 -138.82 111.53 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' PHE . 34.5 tt0 -34.63 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -133.95 175.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.26 -20.52 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 p -130.23 115.12 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -159.88 113.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -58.9 -36.79 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.843 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 147.33 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -78.38 161.52 27.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 49' ' ' LYS . 34.2 t80 -98.77 -59.95 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 58.1 mmtt -140.4 163.74 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -132.15 115.86 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG23 ' OE1' ' A' ' 55' ' ' GLU . 39.8 mt -119.39 92.69 46.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.8 134.0 26.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -39.12 -25.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' PRO . 20.9 t -69.25 -48.57 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' OE1' HG23 ' A' ' 51' ' ' ILE . 24.9 tt0 -47.14 -53.11 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 81' ' ' THR . 58.0 mt -62.34 114.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.1 mt -76.65 -56.82 4.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -174.68 163.08 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' CD1' ' N ' ' A' ' 59' ' ' ILE . 1.1 mp -94.89 129.48 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.1 t -75.6 155.37 35.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -164.26 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 61.02 32.68 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -119.8 36.31 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' CD2' ' CE1' ' A' ' 75' ' ' HIS . 9.9 m-85 -79.85 65.05 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.4 p -106.7 -40.7 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -99.05 41.15 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 pt -101.17 -3.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 3.2 m -42.62 150.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 69' ' ' SER . 2.0 mp0 62.04 37.45 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.7 146.7 18.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 -51.35 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' HB3' ' N ' ' A' ' 91' ' ' ASN . 0.8 OUTLIER -94.25 133.2 27.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.607 ' CE1' ' CD2' ' A' ' 65' ' ' PHE . 14.0 p-80 -125.36 159.38 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.7 t -97.37 -43.93 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 33.5 p90 -152.28 -177.29 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -133.1 129.99 38.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 56' ' ' ILE . 45.3 mt -95.05 100.18 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 80' ' ' ILE . 3.7 mp -83.76 92.15 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 56' ' ' ILE . 1.1 p -98.7 138.54 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' THR . 7.4 t0 -34.41 -55.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 84' ' ' MET . 0.7 OUTLIER -49.17 -62.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.711 ' H ' HG23 ' A' ' 83' ' ' THR . 38.0 mtp -158.84 169.9 23.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.74 129.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CE2' ' OG1' ' A' ' 81' ' ' THR . 30.4 m-85 -114.07 159.69 19.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 30.7 m-85 -134.25 104.34 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -103.34 148.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.11 131.09 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 90' ' ' GLU . 5.6 pt-20 -147.11 115.1 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 12.4 t-20 -111.17 128.11 55.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' CG ' ' N ' ' A' ' 93' ' ' GLY . 2.6 p-10 -111.61 -52.84 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.487 ' N ' ' CG ' ' A' ' 92' ' ' ASN . . . -107.24 57.68 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.71 169.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.2 p 45.51 45.08 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 t -159.11 114.53 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -64.18 89.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -132.58 82.62 56.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -1.15 7.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.3 -30.21 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.44 HD13 ' OD1' ' A' ' 92' ' ' ASN . 64.7 mt -68.3 -21.4 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.69 -50.37 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.86 -51.11 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -63.95 -48.26 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 129.16 29.1 0.74 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 101' ' ' LEU . 10.8 p -132.0 145.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 118.76 -179.72 16.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 11.9 tp -89.24 -42.91 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -51.66 -45.5 63.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.6 p -57.18 -43.46 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -63.72 -47.45 81.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -41.25 -35.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.4 m -76.88 -36.92 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 46.6 m95 -67.16 -42.97 83.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 4.6 tm-20 -62.48 -45.4 93.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.19 -39.25 86.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.06 -67.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.2 mt -40.55 -36.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -77.57 -54.05 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -51.7 -47.88 63.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.61 -34.03 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.9 mt -51.05 -46.35 61.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.7 mmt -53.12 -56.12 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -56.79 95.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -129.26 -79.83 0.24 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.23 32.48 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.5 m -78.06 118.18 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' GLY . 1.5 t -132.42 160.28 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -117.29 -53.14 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -96.02 138.2 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.78 -64.68 3.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t 45.77 38.02 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -141.7 146.44 36.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.67 133.21 2.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.426 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -123.86 -30.58 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 16.6 m -140.1 107.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 44.1 tttp -123.87 151.31 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -160.15 159.35 31.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.4 163.87 16.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -85.64 118.71 25.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.0 ttm -129.53 158.68 38.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 26' ' ' ARG . 14.7 m -115.48 143.92 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -152.93 165.36 35.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CE1' ' CG ' ' A' ' 87' ' ' PHE . 43.2 p90 -147.58 179.01 7.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 p -126.34 176.72 6.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -75.88 -41.88 50.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -72.87 -48.03 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -115.04 107.61 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' ARG . 21.8 p-10 -72.48 -23.51 61.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 tp -43.37 92.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' ASN . 13.4 ttm105 -56.31 145.82 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 41.1 mttp -130.06 135.41 48.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.4 ttm180 -109.57 122.87 48.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 22.2 m170 -141.46 164.61 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.58 82.39 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -65.06 130.66 44.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -126.11 128.5 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 32' ' ' ASP . 5.4 tp -117.56 157.7 25.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.625 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -164.45 178.03 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -75.53 5.52 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -108.52 -67.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.3 p -159.61 159.35 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.29 104.25 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -106.62 152.9 23.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -109.87 142.22 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -123.31 117.55 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -46.01 -48.39 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.51 165.28 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.63 -55.5 28.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -95.57 84.44 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -153.81 82.55 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.564 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -39.95 -33.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -66.04 159.93 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -114.59 161.62 17.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 7.5 t80 -108.06 -50.68 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 15.9 tptt -154.1 129.1 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -98.26 124.33 42.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.92 92.62 39.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.612 0.72 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 129.96 18.56 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 HD22 HD12 ' A' ' 122' ' ' LEU . 33.4 mt -41.33 -34.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -61.99 -47.77 83.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -48.23 -58.97 3.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.1 mt -49.02 128.86 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.17 -58.58 2.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -176.24 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -110.96 149.9 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.887 ' HB2' HD11 ' A' ' 80' ' ' ILE . 15.4 t -97.25 150.3 21.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -74.15 153.05 88.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.76 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -43.23 -55.31 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.24 119.2 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 43.4 m-85 -134.02 8.1 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -87.81 -16.81 33.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.4 pt -105.5 174.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 m -100.54 152.91 19.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLY . 4.7 pt20 -57.44 155.05 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . 38.21 67.99 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 73' ' ' ASN . 5.8 t -156.65 130.7 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' SER . 3.6 m120 -33.13 96.47 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.699 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -175.21 1.09 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -113.6 -178.25 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 36.1 t -124.5 -35.51 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 42.2 p90 -146.44 162.38 38.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 10.1 mt-10 -133.75 132.45 40.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -93.18 109.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.887 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.2 mp -88.45 122.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 83' ' ' THR . 82.6 p -124.84 138.71 54.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' THR . 5.0 m-20 -36.73 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.8 p -77.02 -71.27 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.8 mtp -146.2 169.86 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.24 128.15 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -106.52 145.41 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CG ' ' CE1' ' A' ' 17' ' ' TYR . 52.5 m-85 -120.05 111.51 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 21.8 t -115.82 140.56 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.4 133.9 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -134.93 103.21 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -101.22 114.82 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -92.66 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.44 55.41 0.52 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -130.14 178.64 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.5 p -51.88 178.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -116.61 176.54 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 m170 60.96 49.48 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.75 81.63 5.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.84 4.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.5 t -96.98 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -91.1 -40.09 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -62.15 -16.09 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.53 70.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -76.46 -69.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 156.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.6 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.98 -176.58 20.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.2 tp -90.04 -44.75 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.84 -45.84 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.487 HG21 ' HA2' ' A' ' 105' ' ' GLY . 9.2 p -72.63 -39.75 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -62.33 -30.84 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.11 -40.88 86.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -65.76 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.431 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 52.5 m95 -75.59 -51.9 11.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.78 -46.79 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -60.95 -35.65 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.14 -64.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 122' ' ' LEU . 55.1 mt -46.36 -38.56 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 -74.01 -41.64 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' MET . 5.2 tt0 -62.71 -57.29 11.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -34.85 -47.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.603 HD12 HD22 ' A' ' 53' ' ' LEU . 7.9 mp -56.1 -44.36 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLN . 9.5 mmt -42.3 -49.61 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.1 p -51.67 134.47 30.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.01 -171.54 37.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 99.75 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.2 t -89.11 131.42 35.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.5 m 53.66 44.16 30.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p 47.26 41.76 12.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -129.34 108.9 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.91 65.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -92.61 176.7 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m 54.27 47.91 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 53.77 -96.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 25.4 mtm -37.29 130.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.0 -45.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -145.83 143.96 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -161.57 156.97 24.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.09 162.9 10.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -70.72 126.8 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.6 tpp -139.75 156.24 46.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.88 149.18 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CB ' HG22 ' A' ' 88' ' ' VAL . 14.1 p-80 -153.99 161.45 41.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 87' ' ' PHE . 29.7 p90 -145.12 150.33 36.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 86' ' ' TYR . 2.9 p -93.34 158.73 15.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -65.43 -64.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -47.73 -48.51 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.76 119.51 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -85.16 41.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 tp -90.76 88.74 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -50.1 140.92 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -130.33 124.42 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.0 ttm180 -109.83 119.55 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.6 m80 -151.39 164.18 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -73.32 93.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.782 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.0 m95 -76.32 133.41 40.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.671 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.6 mtm105 -140.47 128.38 21.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -113.12 142.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 170.3 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -63.41 -12.23 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -95.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 p -159.09 162.25 36.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.2 tp -84.42 149.34 26.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -146.89 155.2 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD21 ' NE1' ' A' ' 29' ' ' TRP . 6.3 mp -118.24 168.96 10.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 17.4 m-85 -142.98 117.65 9.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' PHE . 38.6 tt0 -37.69 -48.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.2 t-20 -145.76 172.13 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' ASN . 10.6 tm-20 -36.88 -45.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.9 t -124.09 127.85 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -163.18 108.74 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -51.4 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -96.17 149.26 21.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -95.61 133.79 39.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -52.76 -67.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -148.46 146.09 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -113.32 144.75 42.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 36' ' ' LEU . 51.1 mt -122.1 93.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 139.13 39.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.4 mt -45.33 -38.56 5.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -59.41 -37.57 78.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -63.87 -51.78 63.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.36 110.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.82 -61.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -174.13 176.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.8 mm -94.89 143.71 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 80' ' ' ILE . 17.0 t -91.53 150.93 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 m -60.48 154.7 53.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.66 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 62.06 38.49 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.77 48.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -99.13 46.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.9 p -105.79 -36.53 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -49.04 -43.38 40.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.0 pt -102.76 175.85 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -118.32 145.05 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -39.29 126.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 154.86 -72.25 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 158.29 36.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -56.55 139.62 75.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.35 27.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -108.41 149.16 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 t -86.88 -49.67 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -137.93 172.75 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt-10 -130.31 119.31 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HG23 ' A' ' 81' ' ' THR . 73.4 mt -84.56 103.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.616 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.4 mp -87.74 101.08 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.492 HG23 HG22 ' A' ' 79' ' ' ILE . 79.9 p -102.4 138.4 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' THR . 15.2 t0 -34.75 -38.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.8 p -66.42 -70.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 54.7 mtp -148.53 169.83 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.96 126.41 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 18' ' ' THR . 27.4 m-85 -111.6 151.47 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.7 m-85 -124.12 113.73 18.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 16' ' ' HIS . 5.4 t -117.04 145.44 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.62 136.75 4.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.78 130.7 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 64.1 t-20 -127.69 120.04 27.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -66.88 -43.31 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.63 -112.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -146.48 134.02 20.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.8 p -174.58 151.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -48.23 129.7 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -37.97 126.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -121.46 93.78 48.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 53.5 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.33 -46.51 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -93.41 -28.85 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.4 -40.29 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.87 -30.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.5 p -66.54 -54.97 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.871 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 144.34 34.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.444 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 101' ' ' LEU . 7.6 p -129.11 123.45 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 126.07 179.96 15.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 6.5 tp -84.44 -48.71 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.85 -54.21 25.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.871 HG21 ' HA2' ' A' ' 105' ' ' GLY . 5.4 p -49.59 -35.45 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.39 62.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -42.71 -43.94 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.2 m -59.93 -56.42 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -50.73 -56.72 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.34 -46.44 9.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -63.97 -45.09 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -44.34 -45.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -66.87 -56.89 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -49.03 -28.07 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' CD2' ' A' ' 122' ' ' LEU . 1.6 mm? -47.76 -54.37 12.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.6 mtm -51.91 -49.62 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.0 t -72.35 110.99 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 148.31 158.8 8.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.83 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -104.35 127.63 52.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t -126.56 156.31 41.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.448 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -63.92 121.98 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -97.49 131.47 44.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 178.98 41.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m -104.75 173.55 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t -46.8 -60.14 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.61 73.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -123.07 163.72 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -121.56 -54.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HE3' ' CE2' ' A' ' 114' ' ' TRP . 10.0 ttpp -168.51 152.06 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -147.01 151.1 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.78 164.69 16.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -81.07 133.81 35.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.5 tpp -144.7 156.51 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 26' ' ' ARG . 6.7 m -109.85 146.67 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' CB ' HG22 ' A' ' 88' ' ' VAL . 9.0 p-80 -148.9 165.01 32.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 39.5 p90 -152.69 143.8 23.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 p -86.2 156.42 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.8 t -57.47 -55.08 39.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 tpp85 -63.94 -59.07 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.74 109.93 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.92 32.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -81.32 88.32 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -51.83 134.27 31.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 32.1 mttm -135.36 134.79 40.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 66.7 ttp85 -109.28 122.13 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 20.1 m170 -142.02 160.24 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -74.75 89.56 2.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.728 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.1 m0 -72.45 117.81 14.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 36' ' ' LEU . 11.9 ttt-85 -122.7 129.59 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 tp -124.63 142.64 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.48 179.18 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.4 p -68.09 -3.96 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -99.93 -72.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.8 m -155.77 162.05 40.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 30' ' ' ARG . 24.2 tp -86.05 122.04 29.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 38' ' ' LEU . 7.6 m -113.3 163.3 15.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 37' ' ' THR . 6.7 mp -130.06 133.84 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.83 93.95 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -42.99 -38.2 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.28 144.18 20.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -81.44 41.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 p -123.16 112.5 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.27 -157.75 50.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.6 m -115.11 94.49 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.401 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -159.29 132.02 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -114.27 169.3 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 7.3 t80 -94.08 -50.73 5.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -169.33 162.89 10.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -109.53 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.78 HG22 HD11 ' A' ' 56' ' ' ILE . 27.5 mt -125.95 92.64 45.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.725 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.8 132.92 24.28 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.603 2.202 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD22 ' HB1' ' A' ' 121' ' ' ALA . 38.1 mt -34.38 -39.48 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -57.7 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 81' ' ' THR . 15.3 tt0 -41.08 -47.16 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.78 HD11 HG22 ' A' ' 51' ' ' ILE . 4.4 mp -68.6 122.87 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.1 mt -89.9 -62.35 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -168.3 169.3 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.23 147.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' HD11 ' A' ' 80' ' ' ILE . 34.5 t -84.87 178.57 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -91.03 150.67 42.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CE2' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.73 -3.74 12.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -45.44 -43.13 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.47 118.06 17.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 62' ' ' PRO . 28.1 m-85 -123.98 -32.36 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.2 p -89.5 86.32 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' OD1' HG23 ' A' ' 68' ' ' ILE . 2.8 p30 -119.5 -50.36 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 71' ' ' GLY . 2.3 pp -92.16 173.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 t -126.21 -46.58 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -126.32 47.14 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.793 ' H ' HD13 ' A' ' 68' ' ' ILE . . . -95.19 128.94 9.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.9 t -47.02 -59.5 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -126.79 144.08 48.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -164.5 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -117.15 176.93 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.9 m -119.38 -45.44 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -142.96 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 17.6 mt-10 -135.03 122.41 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.9 mt -86.91 114.95 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -99.27 117.46 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 55' ' ' GLU . 66.5 p -111.01 179.79 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.2 3.14 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.5 p -112.22 -73.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 53.8 mtp -140.79 169.52 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -91.04 134.75 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -116.5 149.04 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 6.0 m-85 -121.16 107.39 12.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG21 ' CH2' ' A' ' 29' ' ' TRP . 46.1 t -113.69 147.35 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 129.76 2.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -132.23 101.75 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -114.67 120.23 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.459 ' ND2' HG12 ' A' ' 106' ' ' VAL . 6.5 p30 -103.36 46.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.65 45.82 23.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -82.49 136.12 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.8 m -130.04 42.55 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.1 p -155.38 162.32 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -95.62 53.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.402 ' ND2' ' HB ' ' A' ' 100' ' ' VAL . 57.2 t30 -81.07 121.12 80.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -14.93 36.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' ND2' ' A' ' 98' ' ' ASN . 99.1 t -70.2 -49.53 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.0 mt -54.28 -45.39 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.68 -17.13 59.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.062 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.41 74.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.9 p -82.03 -19.85 39.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.44 53.75 1.42 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG12 ' ND2' ' A' ' 92' ' ' ASN . 20.2 t -151.84 132.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.39 -174.95 19.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.96 -48.29 8.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -46.97 -51.55 16.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.4 p -54.47 -50.39 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -54.33 -45.73 72.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -52.92 -35.7 58.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 m -67.82 -47.87 67.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 58.0 m95 -60.3 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -40.33 -40.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -73.29 -34.28 65.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -73.06 -57.76 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.39 -48.48 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -61.04 -44.56 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -59.49 -43.4 93.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' HD22 ' A' ' 53' ' ' LEU . . . -47.96 -50.58 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -48.57 -41.44 30.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.9 mmt -59.71 -60.1 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -47.66 104.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 119.53 -158.42 15.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.97 31.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 t -103.02 91.66 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -46.2 -59.33 2.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.64 119.38 37.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.923 0.392 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -107.55 151.16 25.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.49 46.61 1.15 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -46.45 -50.65 16.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -69.97 120.3 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.69 -76.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ptp -70.79 134.57 47.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.53 -56.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HG2' ' CZ2' ' A' ' 114' ' ' TRP . 1.2 ttmp? -152.47 153.98 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -161.56 161.9 30.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.27 156.17 6.75 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -72.46 118.31 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.1 tpp -124.76 157.08 36.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.3 m -117.53 144.75 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CB ' HG22 ' A' ' 88' ' ' VAL . 5.6 p-80 -153.72 169.01 24.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 40.0 p90 -153.01 144.7 23.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.2 p -84.13 158.91 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -58.83 -55.29 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -62.39 -62.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.06 130.82 36.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -111.73 74.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 tp -125.0 88.57 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 23' ' ' LEU . 27.1 ttm180 -36.3 103.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 17.7 mtpt -101.29 117.52 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HB2' HG12 ' A' ' 15' ' ' VAL . 23.7 ttm-85 -106.61 113.39 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 18.9 m170 -136.24 162.59 32.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -69.43 88.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.773 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.5 m0 -71.1 123.45 22.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.747 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.0 ttt85 -130.43 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.7 tp -117.29 137.2 52.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -137.37 170.15 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.4 p -60.33 -12.75 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -71.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 24.7 p -157.3 162.26 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 30' ' ' ARG . 15.3 tp -84.4 106.91 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -95.21 149.93 20.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.89 145.04 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -138.17 112.93 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -48.58 -46.85 39.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -119.39 174.91 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.05 34.19 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 p -107.99 166.93 10.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.23 82.1 1.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' LYS . 71.0 m -143.16 158.93 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -34.69 147.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -179.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -119.2 -58.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 147.26 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.49 128.51 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.701 HG22 HD11 ' A' ' 56' ' ' ILE . 89.2 mt -125.99 92.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 128.71 16.41 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' PRO . 52.4 mt -33.78 -36.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t -57.47 -56.22 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.3 tt0 -37.51 -59.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.1 mp -50.89 120.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.5 mt -85.97 -57.38 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -167.54 170.05 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -104.23 135.27 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.3 t -102.69 158.2 16.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -80.36 159.6 69.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.53 3.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -52.09 -41.31 62.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.22 113.47 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.05 40.37 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.5 p -88.16 -43.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' OD1' ' CE2' ' A' ' 87' ' ' PHE . 26.4 m120 -38.83 -44.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.8 pt -115.85 173.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -114.5 -50.01 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -163.61 150.69 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 150.28 -159.46 28.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.0 p -125.07 -177.73 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 35.5 m120 62.37 54.17 2.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 54.1 Cg_endo -69.7 165.51 30.65 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -94.1 155.12 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 26.2 t -96.94 -42.78 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 33.0 p90 -138.19 178.15 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 15.0 mt-10 -142.85 124.46 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.04 101.11 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 78' ' ' GLU . 5.3 mp -88.81 105.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.3 p -105.35 174.99 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.86 -39.6 83.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -65.77 -67.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.6 mtp -152.28 169.86 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.77 135.54 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.11 146.31 46.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 4.6 m-85 -121.24 113.68 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG21 ' CH2' ' A' ' 29' ' ' TRP . 45.5 t -115.57 142.23 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.21 122.34 2.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.67 ' OE2' HG22 ' A' ' 106' ' ' VAL . 35.6 tt0 -132.83 98.58 4.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -101.33 110.01 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -78.51 -50.89 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.78 -99.62 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -107.26 90.19 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.2 t -118.87 42.77 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.6 p -62.87 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -121.23 80.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.432 ' CG ' HD12 ' A' ' 101' ' ' LEU . 7.6 m120 -129.53 78.89 74.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.59 -42.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.432 HD12 ' CG ' ' A' ' 98' ' ' ASN . 89.8 mt -62.94 -46.58 87.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 101' ' ' LEU . . . -35.49 -41.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.07 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.8 p -79.16 -44.48 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.26 39.5 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.67 HG22 ' OE2' ' A' ' 90' ' ' GLU . 75.4 t -124.44 98.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.83 157.95 9.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.44 -48.31 13.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -40.17 -57.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 111' ' ' ALA . 7.2 p -56.48 -44.1 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -57.84 -50.35 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -50.74 -46.25 59.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -60.25 -43.11 96.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' HG2' ' A' ' 10' ' ' LYS . 17.2 m95 -65.85 -56.77 10.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' TRP . 65.4 tt0 -37.81 -48.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -70.91 -60.79 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.69 -49.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.406 HD11 ' HE3' ' A' ' 114' ' ' TRP . 74.0 mt -62.28 -45.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -62.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -39.9 -47.01 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -41.29 -45.31 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 57.3 mt -50.79 -40.88 56.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.57 -61.97 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.1 p -51.27 156.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 147.45 133.72 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -9.12 25.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 p -81.21 173.83 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.8 m -114.4 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -41.5 153.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.63 161.09 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 137.56 2.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -159.18 107.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -132.77 101.09 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.9 -178.61 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.76 154.59 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.66 -50.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HD3' ' CD2' ' A' ' 114' ' ' TRP . 1.1 ttmp? -140.84 142.34 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 161.18 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.29 160.85 9.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -72.44 146.36 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.6 ttm -157.43 163.48 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 26' ' ' ARG . 28.8 m -117.05 146.52 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -154.0 158.36 40.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 87' ' ' PHE . 4.5 p90 -136.11 148.84 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 p -84.78 161.98 19.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -68.73 -45.38 71.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -68.84 -54.14 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.06 126.75 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.9 24.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -80.84 101.3 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -68.0 133.61 49.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -126.21 142.91 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 32.2 ttp180 -116.27 123.35 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 26.5 m170 -147.66 160.84 42.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -72.02 95.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.05 125.89 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' O ' HD12 ' A' ' 36' ' ' LEU . 10.0 ptm180 -127.52 131.44 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -125.88 145.54 50.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.7 173.97 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -5.45 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -100.12 -71.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.5 p -157.93 161.91 38.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.3 tp -84.71 153.15 23.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.459 ' N ' ' HG ' ' A' ' 36' ' ' LEU . 7.7 m -143.99 160.53 40.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' N ' HG22 ' A' ' 37' ' ' THR . 3.1 mp -126.57 149.8 49.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CE1' ' HA ' ' A' ' 47' ' ' TYR . 18.8 m-85 -135.65 146.78 48.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.94 -50.72 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -137.21 174.83 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -112.4 31.54 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.9 p -106.5 44.58 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 95.64 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -161.43 167.8 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -68.59 146.79 52.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.1 p90 -57.81 157.06 7.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 49' ' ' LYS . 1.2 t80 -90.35 -48.98 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.6 mtpp -150.25 170.39 19.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -142.38 135.72 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 36' ' ' LEU . 13.5 mt -128.37 93.86 37.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLU . 54.0 Cg_endo -69.78 137.68 35.98 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 mt -37.77 -32.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.2 t -65.54 -45.34 83.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.6 tm-20 -47.57 -50.87 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.9 mt -68.9 144.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD21 ' OD1' ' A' ' 82' ' ' ASP . 11.6 mt -102.38 -56.42 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -166.47 175.47 8.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 60' ' ' SER . 43.5 mm -96.05 153.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.2 t -73.96 168.17 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -95.41 161.09 29.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.694 0.759 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.82 -9.17 25.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.619 2.213 . . . . 0.0 112.333 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -59.22 -31.99 69.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -62.39 106.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 52.5 m-85 -130.29 48.39 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -110.49 1.56 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.46 41.4 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 pt -113.47 -1.81 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' GLN . 63.0 m -47.92 176.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 13.9 tt0 -34.35 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.69 110.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -82.37 47.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER -133.52 73.9 72.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -168.43 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.686 2.258 . . . . 0.0 112.369 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -123.06 143.87 49.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.507 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 2.9 p -79.09 -49.43 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -151.33 175.01 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' OE1' ' CE2' ' A' ' 87' ' ' PHE . 4.4 mt-10 -134.91 143.67 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 HG23 ' A' ' 81' ' ' THR . 53.1 mt -104.4 96.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.815 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.0 mp -79.08 107.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 79' ' ' ILE . 69.0 p -115.67 148.71 39.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.175 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' OD1' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -41.61 -55.19 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 84' ' ' MET . 0.6 OUTLIER -49.4 -63.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.119 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.723 ' H ' HG23 ' A' ' 83' ' ' THR . 16.2 mtp -159.57 169.99 22.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.5 t -91.2 132.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -115.27 154.93 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 47.4 m-85 -129.41 112.83 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -111.0 134.51 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.61 110.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.0 108.17 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -95.88 127.63 42.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -110.06 -31.1 7.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.73 89.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -88.85 -42.79 11.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' SER . 39.9 p -144.47 168.84 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.444 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 3.3 m -34.84 -58.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 96' ' ' SER . 14.1 m80 -149.99 111.28 4.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.7 124.13 24.87 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.29 25.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.99 -53.0 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' N ' ' A' ' 102' ' ' ALA . 1.7 pp -42.58 -41.91 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.713 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -77.13 -44.21 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.87 -47.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.7 p -86.22 -49.8 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 123.38 38.85 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -126.25 89.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 101' ' ' LEU . . . -179.5 173.74 45.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -85.28 -50.67 7.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -43.22 -57.09 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.39 -37.11 67.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.75 -49.14 76.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -40.32 -43.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 m -66.12 -46.61 76.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 15.9 m95 -54.32 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' TRP . 25.2 tt0 -34.54 -48.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.16 -48.25 82.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -58.33 -56.48 21.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.5 -53.15 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' LEU . 66.3 ttt-85 -55.86 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -39.84 -48.59 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' ARG . 85.0 mt -61.49 -48.2 82.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 56.8 mtm -42.43 -55.53 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.1 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.81 -163.21 47.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.445 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 157.22 61.12 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.747 2.298 . . . . 0.0 112.319 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 p -85.47 135.6 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.2 m -136.97 127.32 26.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -126.1 116.66 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 m -56.39 -41.39 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.06 126.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -84.88 150.91 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -125.13 148.07 48.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.85 -134.71 49.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.42 142.72 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' HG ' ' A' ' 31' ' ' LEU . 14.1 m -127.25 -36.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -152.72 135.16 15.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 3.0 mp0 -151.38 148.23 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.28 169.39 34.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 27.8 m95 -96.91 124.47 40.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.436 ' SD ' HG11 ' A' ' 88' ' ' VAL . 3.8 ptm -152.06 164.27 37.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.0 m -102.22 157.71 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -154.45 158.24 39.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 53.7 p90 -144.71 172.24 13.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -120.27 169.66 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' ARG . 31.6 t -73.13 -69.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' SER . 20.8 ttm-85 -37.14 -50.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -119.37 132.37 55.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -86.71 31.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -84.38 108.37 17.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -89.64 148.34 23.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 62.9 mttt -146.43 144.28 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.6 ttt-85 -107.41 125.56 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.7 m80 -148.06 164.97 32.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 37.6 t80 -82.01 92.03 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.8 m0 -66.09 125.14 24.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.6 tpt85 -114.36 128.13 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 9' ' ' VAL . 66.0 tp -127.03 132.48 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -137.43 -175.55 4.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -81.36 11.93 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -117.19 -65.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 p -157.56 159.46 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.0 tp -88.36 108.07 19.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.4 m -105.92 151.86 24.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -113.39 162.25 16.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -147.01 129.54 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -57.84 -40.1 79.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.646 ' ND2' ' H ' ' A' ' 43' ' ' SER . 11.1 t30 -171.57 161.42 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.14 -40.78 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.646 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 73.0 m -124.81 100.89 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.9 -142.69 4.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.5 m -51.64 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -71.71 -65.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -154.4 135.65 14.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 35.6 t80 -65.38 -75.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' CE2' ' A' ' 48' ' ' TYR . 1.5 mptp? -144.48 158.67 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.15 135.86 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.5 mt -128.16 94.59 35.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.3 Cg_endo -69.76 130.16 18.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -41.24 -25.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PRO . 24.6 t -67.66 -44.51 77.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LEU . 13.2 mm-40 -57.81 -52.23 66.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -54.27 89.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 80' ' ' ILE . 12.1 mt -49.92 -61.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.67 176.08 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.623 HG21 ' OE2' ' A' ' 115' ' ' GLU . 30.3 mm -95.81 138.87 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 t -110.33 -179.27 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -88.9 144.34 32.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ARG . 53.3 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' PRO . 13.3 ptm180 -36.71 -36.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.62 104.7 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ASN . 39.6 m-85 -123.07 -31.49 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.1 p -37.06 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' PHE . 5.2 m120 -47.07 -47.95 22.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 69' ' ' SER . 2.4 pp -92.76 -178.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.508 ' N ' HD12 ' A' ' 68' ' ' ILE . 1.1 t -123.22 -62.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 21.4 pt20 -80.48 -53.84 6.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' HD13 ' A' ' 68' ' ' ILE . . . 106.01 42.94 1.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.9 m -65.16 -71.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 1.1 m120 -120.11 79.92 26.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -176.25 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -105.93 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.482 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 40.6 t -114.45 -46.64 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -134.28 166.26 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 53.0 mt-10 -126.23 118.92 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.46 103.45 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 57' ' ' LEU . 1.6 mp -86.77 121.03 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.2 p -126.14 155.15 42.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -50.38 -18.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.5 p -90.2 -69.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 6.5 ptm -156.45 169.78 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 t -89.66 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 22.1 m-85 -122.76 158.43 30.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 8.1 m-85 -132.57 115.88 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.78 HG21 ' CH2' ' A' ' 29' ' ' TRP . 3.3 t -114.42 138.55 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.68 126.44 2.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' OE2' ' CG ' ' A' ' 73' ' ' ASN . 13.5 tp10 -132.91 103.69 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.1 107.5 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -98.9 36.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.47 78.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -132.53 140.07 48.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 75.4 m -45.43 142.01 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 m -68.01 176.05 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 m80 49.69 54.07 11.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.591 ' ND2' HD23 ' A' ' 101' ' ' LEU . 6.0 t30 -127.71 72.04 78.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 101' ' ' LEU . 34.4 m -87.11 -47.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -74.61 -23.93 58.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -41.54 59.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -41.6 -42.47 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -61.99 -47.59 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.463 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 127.25 18.67 2.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 107' ' ' GLY . 14.7 p -113.44 164.02 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 106' ' ' VAL . . . 78.52 166.1 29.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.618 HD23 HE22 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -71.88 -42.92 66.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.457 ' N ' HD23 ' A' ' 108' ' ' LEU . 23.1 t70 -34.98 -63.47 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 114' ' ' TRP . 6.3 p -47.89 -35.81 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 108' ' ' LEU . . . -43.33 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.618 HE22 HD23 ' A' ' 108' ' ' LEU . 4.2 mp0 -56.75 -45.2 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 74.2 m -56.53 -39.98 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.683 ' CD1' HG22 ' A' ' 110' ' ' VAL . 40.1 m95 -65.49 -71.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 59' ' ' ILE . 10.5 tt0 -33.18 -52.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -51.0 -44.85 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' TRP . . . -72.76 -27.44 62.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.0 mm -64.98 -63.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.515 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.1 tmm_? -62.11 -46.91 86.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -50.06 -32.11 14.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.8 -36.3 82.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 119' ' ' ARG . 4.9 mp -62.75 -8.23 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.6 mtm -92.73 -47.97 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -58.36 106.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.87 -155.86 16.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.23 17.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -161.91 154.2 19.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -108.2 149.06 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -163.22 139.35 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -104.48 132.52 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.31 132.58 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -76.16 136.77 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -67.86 -33.15 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.44 58.55 12.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 mmt -90.67 -55.11 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 17.0 m -141.72 109.16 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -135.04 124.55 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.1 pm0 -132.96 167.98 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 163.41 158.78 10.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -82.76 111.81 19.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.743 0.306 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 33.1 tpp -128.03 154.47 45.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.833 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.0 m -112.18 149.18 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -154.35 162.76 40.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 87' ' ' PHE . 14.0 p90 -141.75 157.0 45.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.8 p -102.23 156.14 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 t -69.32 -38.69 78.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -65.02 -58.34 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -115.04 132.8 56.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -92.76 73.32 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -123.4 79.47 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -45.69 121.6 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 50.5 mttm -120.09 133.32 55.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.833 ' HB2' HG12 ' A' ' 15' ' ' VAL . 26.1 ttm-85 -112.22 117.77 33.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 24.0 m170 -139.89 163.19 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.8 t80 -77.11 82.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -58.75 130.45 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.0 mtt180 -126.75 131.72 51.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 32' ' ' ASP . 8.9 tp -124.79 150.31 46.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' H ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -152.35 163.97 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -56.15 -17.0 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.98 -70.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.63 160.96 37.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 51' ' ' ILE . 7.2 tp -84.99 123.4 30.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -118.79 140.73 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.82 141.49 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -120.21 108.24 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -44.93 -49.38 11.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -143.89 162.99 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -52.43 -51.23 60.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -95.67 133.99 39.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.87 150.65 5.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -93.66 -54.15 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -38.09 140.56 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -114.88 136.94 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -56.18 -67.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -154.31 171.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -121.6 123.24 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 36' ' ' LEU . 53.5 mt -118.9 92.62 45.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.87 38.83 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.64 2.226 . . . . 0.0 112.393 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -44.59 -22.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.2 m -72.45 -53.88 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' HG23 ' A' ' 51' ' ' ILE . 27.6 tt0 -44.3 -54.85 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.48 95.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.85 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.67 -177.41 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.93 149.92 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 80' ' ' ILE . 5.3 t -80.83 -177.97 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -126.24 156.95 71.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.75 1.88 4.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -67.85 -36.2 79.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 98.59 5.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 62' ' ' PRO . 3.6 m-85 -127.12 48.38 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.8 p -109.26 -33.12 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.89 -24.41 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.8 pt -72.52 -3.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.0 t -45.72 -55.62 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -102.53 42.86 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.24 15.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 t -124.67 -62.62 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -87.53 119.59 70.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.647 0.736 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.296 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 4.6 m80 -129.21 169.74 14.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 48.8 t -112.65 -37.03 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 21.2 p90 -154.2 168.13 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 12.3 mt-10 -142.9 152.27 41.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.8 mt -109.57 105.36 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 85' ' ' VAL . 4.9 mp -88.28 108.83 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -100.62 176.22 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -68.28 -2.83 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -112.78 -69.92 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.7 mtp -144.85 169.27 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 80' ' ' ILE . 78.4 t -90.46 145.57 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.13 112.69 21.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.684 ' CB ' ' CE1' ' A' ' 17' ' ' TYR . 76.9 m-85 -82.71 104.03 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 13.8 t -108.71 132.03 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.95 134.1 3.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -142.07 106.86 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -94.32 133.6 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -133.88 41.73 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.69 94.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -84.4 -55.5 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -49.05 -60.28 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 159.74 28.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -122.68 149.67 43.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 101' ' ' LEU . 23.1 t30 -162.89 105.03 1.03 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 54.1 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' OD1' ' A' ' 98' ' ' ASN . 7.2 p -58.74 -38.69 73.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 98' ' ' ASN . 57.3 mt -59.01 -43.59 91.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -57.05 -46.2 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.3 p -69.24 -53.8 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.95 36.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.06 149.33 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.23 179.4 19.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' ALA . 51.3 tp -74.75 -60.64 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' LEU . 16.7 m-20 -37.15 -49.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.86 -37.23 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -63.47 -40.97 98.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -59.87 -39.96 87.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.0 m -63.9 -44.42 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -69.04 -57.07 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -45.24 -45.2 11.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -65.61 -56.9 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.67 -55.29 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.01 -53.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -57.02 -64.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 121' ' ' ALA . 37.4 tt0 -46.83 -53.08 12.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.7 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 49.6 mt -41.08 -55.19 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 124' ' ' SER . 19.8 ptp -81.19 -43.19 19.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 123' ' ' MET . 63.5 m -83.15 108.15 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -175.58 -155.35 12.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.17 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.695 2.263 . . . . 0.0 112.39 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.1 p -38.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 m -52.77 -46.19 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -59.19 91.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -147.38 168.97 20.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.42 129.53 2.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -100.92 135.47 42.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -83.27 97.85 9.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.68 -125.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.425 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptm -79.21 140.11 37.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -107.15 -67.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 114' ' ' TRP . 19.7 tttp -150.22 155.54 39.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 28' ' ' TYR . 1.5 pm0 -161.59 162.5 30.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.0 161.92 9.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -81.83 125.38 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.1 tpp -135.59 160.5 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG22 ' HB2' ' A' ' 90' ' ' GLU . 33.9 m -114.45 134.46 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -142.92 168.7 19.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.7 157.47 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE ' ' A' ' 84' ' ' MET . 66.2 p -95.93 161.41 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -65.35 -51.37 60.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.99 -63.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.55 137.19 36.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.51 66.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 tp -120.17 96.48 5.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 ttm105 -52.08 129.48 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 47.7 mttt -128.7 125.11 37.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.5 ttm180 -106.58 120.21 41.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 23.3 m170 -143.22 160.81 39.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 87.8 t80 -76.25 85.74 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.456 ' CH2' HG21 ' A' ' 88' ' ' VAL . 8.5 m0 -65.3 128.81 37.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 36' ' ' LEU . 16.2 tpt85 -123.62 128.88 50.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -122.9 134.66 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -137.31 175.27 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.0 p -70.05 -1.28 9.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 38.1 mmtt -102.55 -69.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 34' ' ' LYS . 1.8 m -156.02 161.64 40.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 30' ' ' ARG . 42.8 tp -84.39 110.25 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 m -107.48 151.15 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.82 168.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -149.17 116.36 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -51.65 -53.15 41.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -54.61 -41.17 69.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -130.3 143.87 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.89 -103.31 1.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 m -39.67 157.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 -51.81 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.76 139.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 72.0 t80 -71.47 -67.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 31.7 tttt -153.64 134.82 14.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -86.38 129.16 34.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 28.7 mt -120.02 108.68 38.27 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.611 0.72 . . . . 0.0 111.188 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD22 ' CB ' ' A' ' 121' ' ' ALA . 44.7 mt -46.13 -20.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' GLU . 46.8 m -67.9 -61.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' SER . 26.9 mm-40 -34.48 -56.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 79' ' ' ILE . 14.5 mt -52.8 94.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -69.72 -48.96 57.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -172.03 -177.23 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 60' ' ' SER . 32.8 mm -95.07 148.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.859 ' HB2' HD11 ' A' ' 80' ' ' ILE . 36.0 t -69.18 174.26 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -106.36 162.3 20.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.698 0.761 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 4.94 1.92 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.3 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -81.04 -25.63 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -120.19 48.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -135.0 31.95 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 t -101.94 5.63 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.79 40.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.94 -2.5 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -62.59 150.36 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 46.42 41.25 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.4 163.0 21.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -99.78 -47.88 4.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.45 98.75 37.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 158.86 55.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' A' ' 65' ' ' PHE . 42.5 p-80 -90.68 162.4 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.588 ' HG ' ' HD1' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -120.99 -19.72 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.588 ' HD1' ' HG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER -153.01 172.89 16.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.522 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 6.0 mt-10 -141.24 142.78 33.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 56' ' ' ILE . 55.0 mt -103.63 100.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -88.99 110.86 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 36.7 p -97.98 176.9 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -75.47 5.57 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -121.48 -72.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 18' ' ' THR . 1.2 ttt -130.82 157.6 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.745 HG13 HG13 ' A' ' 80' ' ' ILE . 79.5 t -91.21 141.62 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -126.13 146.3 50.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CE2' ' CD ' ' A' ' 78' ' ' GLU . 12.7 m-85 -117.84 112.63 20.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 77' ' ' PHE . 14.5 t -113.19 157.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 88' ' ' VAL . . . 137.72 127.72 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.2 tt0 -129.87 114.5 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.876 0.369 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -123.58 143.01 50.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -125.21 -50.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.76 -62.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.41 92.74 5.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 t -93.13 -57.22 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.6 t -82.05 -49.09 10.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -44.65 -49.21 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 101' ' ' LEU . 22.9 t-20 -119.5 86.88 35.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 91.2 t -80.32 -50.21 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 98' ' ' ASN . 6.1 mp -55.57 -51.51 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.92 -42.07 97.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.12 -40.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.3 p -87.24 -51.87 5.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.59 -29.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.5 t -64.65 100.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 147.47 158.64 7.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 111' ' ' ALA . 38.0 tp -75.31 -59.11 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LEU . 76.6 m-20 -36.64 -59.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 p -54.33 -33.59 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB1' ' SG ' ' A' ' 76' ' ' CYS . . . -62.88 -49.81 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -50.89 -42.69 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -58.42 -31.5 67.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.451 ' CD1' ' HE3' ' A' ' 10' ' ' LYS . 55.2 m95 -73.82 -55.39 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.24 -54.41 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -54.29 -48.14 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ILE . . . -63.12 -69.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ALA . 95.2 mt -35.76 -49.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.26 -51.1 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -43.76 -48.09 8.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.577 ' CB ' HD22 ' A' ' 53' ' ' LEU . . . -46.18 -42.36 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 44.4 mt -46.94 -59.41 3.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.6 mtt -63.82 -48.25 77.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -63.76 96.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.39 158.83 31.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.79 34.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -113.89 -59.76 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -77.95 143.26 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -90.04 155.56 18.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -68.28 -53.01 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.67 -157.51 28.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -126.03 41.02 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -55.14 131.91 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.44 44.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -44.22 164.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -129.94 -57.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -153.57 154.86 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -161.31 160.92 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.65 162.72 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -71.38 134.11 46.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.5 tpp -142.05 153.24 44.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 26' ' ' ARG . 31.6 m -114.0 145.57 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -154.28 160.14 41.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 9.1 p90 -139.81 145.04 37.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.1 p -91.6 159.93 15.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -60.93 -39.06 87.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -80.56 -69.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.36 101.23 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' LEU . 9.5 p-10 -63.27 -36.56 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASN . 3.4 tt -34.23 97.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 29.6 ttm-85 -54.82 153.24 6.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 34.7 mtmt -133.55 129.88 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.694 ' HB2' HG12 ' A' ' 15' ' ' VAL . 32.2 ttt180 -116.38 117.76 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 19.4 m170 -141.69 163.24 33.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -73.9 88.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.507 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.4 m0 -67.08 115.03 6.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' LEU . 4.2 tpp180 -114.19 128.91 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.6 tp -129.27 134.11 47.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.13 168.74 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -58.21 -13.89 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -88.91 -69.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -155.74 162.11 40.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 30' ' ' ARG . 14.4 tp -85.44 113.24 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -113.95 147.42 38.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.11 162.52 13.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -149.94 135.27 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.31 -47.83 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -124.2 165.22 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -67.16 -21.83 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.0 p -118.78 115.9 25.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 156.15 152.62 6.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' TYR . 22.9 t -101.78 -39.21 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -50.16 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' SER . 1.6 p90 -55.86 154.42 7.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -89.4 -60.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -139.54 171.64 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -129.89 118.29 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 22.9 mt -123.99 92.56 48.24 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.728 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 133.89 26.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -40.34 -26.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.7 t -65.24 -64.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.783 ' OE1' HG22 ' A' ' 81' ' ' THR . 2.9 tm-20 -35.04 -61.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.37 98.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.98 -57.05 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -168.9 -175.82 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mm -106.54 144.5 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.857 ' CB ' HD11 ' A' ' 80' ' ' ILE . 11.8 t -93.72 151.4 19.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -73.79 159.8 83.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.755 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 2.68 3.33 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -79.21 45.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.17 43.94 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -80.54 -41.69 23.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' ASN . 33.1 p -46.67 -43.43 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -35.96 -42.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.9 pt -99.1 173.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -119.04 -62.04 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -171.78 136.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.46 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -159.45 169.41 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.22 152.55 38.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.76 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 5.8 m80 -146.38 154.49 41.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 43.2 t -103.73 -32.68 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -162.16 163.7 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 2.3 mp0 -143.44 130.33 20.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.66 105.25 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.857 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.3 mp -84.86 124.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.783 HG22 ' OE1' ' A' ' 55' ' ' GLU . 37.3 p -128.11 144.72 51.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' THR . 10.6 t0 -34.2 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.8 p -69.59 -73.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 44.6 mtp -151.37 170.13 20.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 80' ' ' ILE . 90.4 t -89.47 138.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.57 114.01 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.587 ' HB3' ' CD2' ' A' ' 75' ' ' HIS . 59.0 m-85 -83.52 103.57 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.507 HG21 ' CH2' ' A' ' 29' ' ' TRP . 53.8 t -107.0 136.13 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 122.32 2.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.438 ' OE1' HG21 ' A' ' 15' ' ' VAL . 28.8 tt0 -138.75 108.43 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 108' ' ' LEU . 17.0 m-20 -100.63 115.2 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -98.09 42.67 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.42 66.18 2.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.83 111.76 13.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.9 p -73.05 -51.75 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.9 m -134.57 132.13 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -39.54 109.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 100' ' ' VAL . 11.7 t-20 -109.37 117.43 53.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.706 0.765 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -14.72 36.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.585 HG12 ' CG ' ' A' ' 98' ' ' ASN . 8.3 p -81.16 -25.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.8 mt -83.53 -47.5 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -59.35 -42.85 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.63 -46.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.5 p -84.08 -44.96 13.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.76 47.82 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.86 101.2 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.12 -174.57 26.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 7.9 tp -85.67 -36.24 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.62 -60.49 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.51 -30.95 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.23 -55.17 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -45.88 -40.01 9.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.1 m -63.36 -55.04 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -47.53 -62.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -41.27 -49.17 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.0 -44.27 97.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.71 -44.8 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.902 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.6 tpt180 -68.32 -45.32 73.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -53.95 -55.89 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -49.1 -49.04 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.902 HD12 ' HA ' ' A' ' 119' ' ' ARG . 19.1 mt -46.84 -62.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 ptm -60.8 -31.07 70.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.3 t -102.84 43.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.48 -86.93 0.11 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.02 6.31 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -54.04 152.66 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.8 p -111.54 175.83 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -141.6 141.37 33.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -115.36 41.16 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -69.4 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.05 128.41 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -127.4 143.73 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.64 80.55 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.496 ' HG3' HG22 ' A' ' 9' ' ' VAL . 21.4 ptp -123.23 -41.11 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.0 m -139.17 108.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -136.7 145.08 44.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -159.71 163.39 34.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.61 167.24 16.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -83.17 115.11 21.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.969 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.7 tpp -122.9 159.87 27.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -117.68 140.04 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -152.91 160.94 43.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -143.65 174.3 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -108.94 167.82 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 t -74.47 -57.71 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -42.42 -55.4 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.11 141.58 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.56 55.81 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.62 79.5 4.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -48.29 151.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 70.2 mttt -143.35 123.48 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 21.8 ttt85 -108.69 118.18 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 21.9 m80 -146.44 162.1 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -73.51 75.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.742 ' NE1' HD21 ' A' ' 38' ' ' LEU . 5.2 m0 -57.11 127.62 32.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 14.3 mtp-105 -127.16 128.83 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 32' ' ' ASP . 4.7 tp -120.81 150.53 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -154.24 172.02 18.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.5 m -61.76 -12.33 16.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -89.74 -69.97 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.3 p -159.44 160.57 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 31' ' ' LEU . 10.7 tp -88.73 106.28 18.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -110.9 152.2 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.1 mp -104.58 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CZ ' ' O ' ' A' ' 46' ' ' LYS . 11.7 m-85 -149.41 124.59 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.24 -53.23 60.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.3 165.4 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.62 -34.03 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.4 m -134.9 154.3 51.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.95 48.94 5.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.562 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -175.14 -177.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.599 ' O ' ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -134.8 -36.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -175.79 142.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 49' ' ' LYS . 56.9 t80 -94.62 -60.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 48' ' ' TYR . 15.6 tptt -143.3 135.73 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -98.96 130.54 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.74 HG22 HD11 ' A' ' 56' ' ' ILE . 87.2 mt -122.35 97.44 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.69 118.4 5.66 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' PRO . 34.0 mt -35.03 -32.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 3.0 t -60.58 -57.23 13.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 2.7 mm-40 -37.38 -57.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.771 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.4 mp -51.29 100.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.8 mt -68.05 -53.05 28.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -168.62 169.95 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.4 mm -101.25 140.54 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.2 t -73.67 123.13 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.501 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -53.07 -60.06 7.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.4 Cg_endo -69.8 -177.95 2.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 64' ' ' ASP . 8.9 ptp180 -119.43 40.58 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.5 OUTLIER 34.08 51.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -57.57 -13.62 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -69.73 -12.95 62.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -115.24 54.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 pt -115.86 -6.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -50.21 -68.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' GLY . 34.5 tp60 -53.03 116.82 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLN . . . -38.48 103.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 m -162.17 172.59 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 92' ' ' ASN . 1.1 m120 -97.76 144.6 28.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 160.89 48.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 17.3 p-80 -104.2 171.58 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.0 t -99.9 -34.2 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 55.9 p90 -151.36 169.18 22.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 8.9 mt-10 -132.62 127.09 34.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.2 mt -92.04 104.26 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.527 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.9 mp -92.51 105.69 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.2 p -106.85 146.21 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -39.55 -33.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -72.32 -73.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 43.2 mtp -146.94 169.79 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -90.18 134.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -120.87 136.74 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -111.98 121.43 44.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.34 139.82 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.52 142.59 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.83 136.11 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.425 HD21 HD13 ' A' ' 108' ' ' LEU . 4.5 m-20 -122.25 104.04 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 3.1 p30 -57.93 -47.09 83.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.31 59.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -128.29 165.9 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -134.54 57.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 t -162.19 176.37 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 99' ' ' PRO . 17.7 m80 -94.85 106.68 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 HD22 ' CD1' ' A' ' 101' ' ' LEU . 5.1 m-20 -106.89 85.82 2.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 97' ' ' HIS . 53.7 Cg_endo -69.74 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.76 -37.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' CD1' HD22 ' A' ' 98' ' ' ASN . 39.7 mt -64.85 -54.18 35.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -46.66 -36.03 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.54 -48.65 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -84.49 -25.07 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.473 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 105.46 52.48 0.81 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.5 136.43 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.371 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.25 179.77 17.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.552 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.425 HD13 HD21 ' A' ' 91' ' ' ASN . 6.9 tp -84.75 -40.31 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -51.31 -43.93 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.473 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.4 p -67.07 -38.29 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.13 -51.97 58.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -45.64 -36.48 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 m -71.5 -51.9 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -54.82 -58.78 6.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 11.1 tt0 -47.87 -50.46 26.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -51.85 -39.57 59.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.07 -62.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -46.22 -36.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -72.4 -52.65 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 121' ' ' ALA . 8.3 tt0 -57.88 -56.07 26.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -33.98 -44.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.4 mt -47.8 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.515 ' SD ' ' N ' ' A' ' 124' ' ' SER . 0.0 OUTLIER -78.86 -52.45 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.515 ' N ' ' SD ' ' A' ' 123' ' ' MET . 1.4 t 33.03 34.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 123' ' ' MET . . . -150.17 130.06 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 136.4 33.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.5 t -69.34 -51.69 34.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.5 m -126.92 117.17 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 173.25 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -137.81 140.8 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.06 130.9 4.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -74.91 164.39 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -126.78 -40.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -43.33 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.511 ' HE3' ' OE1' ' A' ' 11' ' ' GLU . 4.2 ppp? -96.83 158.25 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 32' ' ' ASP . 53.7 t -106.29 -73.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -150.7 157.7 43.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' OE1' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -160.05 163.02 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.95 167.43 14.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.06 122.79 23.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.505 ' HB3' ' CG ' ' A' ' 29' ' ' TRP . 19.1 tpp -131.41 153.77 49.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 26' ' ' ARG . 22.1 m -113.59 141.88 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.16 155.5 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -139.84 169.75 17.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -100.95 169.48 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -73.55 -62.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -39.86 -54.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -125.09 150.23 47.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -91.4 46.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -82.35 95.41 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 21.3 ttm105 -70.21 132.59 45.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -125.65 125.75 43.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 50.0 ttp180 -104.85 123.01 46.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 32.0 m80 -148.98 159.46 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.29 79.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' MET . 5.6 m95 -59.3 122.79 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.6 ttp85 -126.91 128.68 46.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.0 tp -122.95 136.32 54.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' A' ' 9' ' ' VAL . 5.2 m-20 -131.23 -177.46 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -76.64 4.01 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -112.58 -67.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 p -157.23 161.88 39.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -85.23 143.07 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.57 137.03 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mp -109.5 152.84 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -126.01 122.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -47.42 -46.97 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -151.17 174.03 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -60.44 -45.25 94.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -99.15 46.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.04 116.48 4.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.6 p -65.1 -59.01 4.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -75.44 147.82 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -89.66 150.2 22.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 18.4 t80 -68.23 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 48' ' ' TYR . 12.0 ttmm -158.03 139.88 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -102.8 129.61 49.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.517 HD12 HD23 ' A' ' 36' ' ' LEU . 72.0 mt -114.14 93.5 30.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.74 48.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -44.42 -23.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -72.83 -48.22 39.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -44.32 -58.34 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 79' ' ' ILE . 56.6 mt -55.37 119.93 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.0 mt -88.24 -59.08 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 59' ' ' ILE . 4.3 tmm_? -160.8 160.38 31.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 24.5 mm -95.4 117.66 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.4 t -80.89 134.07 35.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -71.48 -59.96 2.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 110.852 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 61' ' ' SER . 53.6 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.66 ' HD2' HG22 ' A' ' 68' ' ' ILE . 16.7 ptp180 -91.37 38.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' PHE . 1.6 m-20 43.54 25.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' C ' HD12 ' A' ' 68' ' ' ILE . 12.0 m-85 35.5 43.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -112.45 -37.94 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.01 59.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.828 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -124.32 -6.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.9 m -99.3 -41.7 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -135.08 124.46 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.0 168.5 37.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -123.23 -69.68 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.923 0.392 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -96.07 133.34 25.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.571 0.701 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.38 53.6 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -177.95 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.21 -44.33 2.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 115' ' ' GLU . 32.4 p90 -152.41 172.62 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE2' ' C ' ' A' ' 77' ' ' PHE . 3.1 mp0 -130.94 146.72 52.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 56' ' ' ILE . 68.7 mt -107.74 97.95 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 85' ' ' VAL . 3.6 mp -81.23 114.04 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -113.02 177.99 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.32 -23.52 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 p -87.1 -71.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.2 mtp -147.74 169.82 18.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 80' ' ' ILE . 21.6 t -89.96 138.32 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.68 150.99 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 1.9 m-85 -123.62 112.73 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CH2' ' A' ' 29' ' ' TRP . 10.0 t -112.42 149.92 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.191 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.52 123.0 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -131.96 111.49 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -112.06 115.83 29.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -84.63 -32.58 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.69 -58.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.83 137.67 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -155.91 131.56 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -158.24 135.37 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.7 m170 44.61 41.17 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.81 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.457 HD22 HD12 ' A' ' 101' ' ' LEU . 32.6 t30 -114.9 86.01 12.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.94 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.4 t -84.85 -47.72 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.457 HD12 HD22 ' A' ' 98' ' ' ASN . 56.9 mt -85.68 -46.03 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -52.17 -41.99 63.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.93 -37.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.0 p -82.13 -50.21 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.526 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 126.55 41.3 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.5 p -129.49 139.54 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.59 176.3 18.38 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' ALA . 10.9 tp -80.18 -61.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LEU . 2.0 t0 -36.64 -53.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.526 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.4 p -56.05 -40.44 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . -64.71 -53.36 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -38.73 -37.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 -42.23 62.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' ALA . 17.1 m95 -66.36 -41.03 90.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 16.9 tt0 -61.92 -47.35 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -68.4 -42.31 79.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.6 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.74 -46.78 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -60.55 -50.14 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' ALA . 2.7 tp60 -60.13 -51.5 69.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -36.72 -41.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.43 -58.2 6.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 7.1 mtm -44.14 -57.54 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.7 m -63.07 149.39 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 170.48 -158.46 30.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.544 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.87 12.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.6 t -78.62 110.97 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -128.01 159.28 35.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -43.31 109.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 p 45.67 44.94 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.23 97.76 1.03 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -98.38 173.76 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -104.4 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.39 82.95 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -142.13 151.78 42.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.2 m -63.39 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -115.71 124.06 49.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 16.9 mt-10 -114.56 167.03 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.93 148.7 5.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.423 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 80.3 m95 -84.84 120.91 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.1 tpp -133.89 157.55 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 26' ' ' ARG . 33.8 m -112.17 140.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -151.74 165.52 34.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 31.3 p90 -145.1 150.24 36.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.8 p -86.37 169.3 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -70.54 -60.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -46.64 -50.11 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -127.11 120.27 28.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 68' ' ' ILE . 67.2 m-20 -83.6 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -92.55 100.67 13.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -56.51 120.63 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 77.6 mttt -125.57 124.07 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.2 ttt180 -102.94 119.87 39.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 23.4 m170 -140.22 164.52 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 11' ' ' GLU . 4.1 t80 -78.07 83.37 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -63.1 142.03 58.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 36' ' ' LEU . 30.2 mtt180 -139.25 128.83 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -121.51 151.41 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -155.63 -176.45 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -81.14 13.98 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -120.22 -66.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.23 158.4 29.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 30' ' ' ARG . 18.8 tp -86.69 112.17 21.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 m -104.64 143.02 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 4.9 mp -109.81 158.02 18.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD1' ' NE ' ' A' ' 30' ' ' ARG . 57.6 m-85 -149.0 119.12 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.98 -23.63 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -146.89 172.92 12.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -85.25 56.16 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -86.64 -70.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.87 -67.51 0.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 t -58.56 -71.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.943 0.401 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -67.17 156.5 36.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -142.37 165.67 26.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -85.2 -60.71 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -150.89 174.54 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -136.12 113.26 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.529 HD12 HD23 ' A' ' 36' ' ' LEU . 12.3 mt -102.72 102.63 27.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.697 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 55' ' ' GLU . 53.8 Cg_endo -69.77 134.64 28.45 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.32 -26.4 7.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 t -66.19 -39.41 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 14.8 mm-40 -59.26 -55.74 30.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.3 mt -52.02 108.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.85 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -156.29 158.39 37.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 43.7 mm -95.39 122.54 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -92.53 165.97 12.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.3 m -89.66 157.73 46.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.6 26.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -39.96 -33.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 66' ' ' THR . 12.6 t0 -70.3 108.2 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.79 21.83 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' OD1' ' A' ' 64' ' ' ASP . 13.1 t -97.05 -1.66 44.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.5 -36.71 68.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.46 HG22 ' ND2' ' A' ' 22' ' ' ASN . 47.5 pt -117.22 179.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 m -104.14 -39.14 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -152.7 136.18 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.51 139.13 6.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -100.79 -22.52 14.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.814 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -122.72 82.66 48.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 178.57 4.44 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -98.88 173.8 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 t -105.01 -40.21 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.4 162.11 36.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.75 139.57 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.3 mt -112.11 100.12 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.567 HG13 HG13 ' A' ' 85' ' ' VAL . 4.1 mp -92.49 119.04 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 p -108.14 166.84 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.52 -7.88 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.35 -73.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mmm -135.98 169.89 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 80' ' ' ILE . 59.0 t -94.11 142.99 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -126.69 153.59 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 47.8 m-85 -129.98 116.0 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.15 144.08 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.69 136.52 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -143.43 108.98 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 91' ' ' ASN . 0.7 OUTLIER -100.07 123.89 44.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.617 ' ND2' HD13 ' A' ' 101' ' ' LEU . 7.4 p30 -86.96 41.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.22 29.93 2.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -163.49 138.82 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 m -129.68 50.08 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -85.75 11.63 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 t60 65.1 35.51 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.4 121.38 16.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.856 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.79 -21.63 33.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 101' ' ' LEU . 15.0 p -81.92 -40.58 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.617 HD13 ' ND2' ' A' ' 92' ' ' ASN . 54.2 mt -64.97 -68.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.43 -29.74 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 99' ' ' PRO . . . -50.0 -52.2 35.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -83.62 -14.75 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 115.43 26.42 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -115.11 136.82 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 164.47 11.51 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 108' ' ' LEU . 10.1 tp -80.11 -39.65 29.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.3 -61.01 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.77 -37.0 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.68 -50.67 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -51.96 -31.39 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 -39.86 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -73.24 -40.49 64.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.15 -53.53 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -57.05 -55.13 38.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.91 -54.56 23.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.6 mt -52.13 -52.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -56.18 -49.65 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -57.81 -49.68 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 120' ' ' GLN . . . -35.96 -51.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.3 mp -45.05 -45.65 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.8 mmt -48.95 -44.33 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.5 t -47.97 115.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -118.35 158.47 14.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.44 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.2 p -57.09 -48.23 79.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.4 t -90.9 -44.89 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -74.8 150.52 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -123.19 116.27 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 88.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -111.0 155.24 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -40.12 130.73 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -52.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.24 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.6 m -140.05 105.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 26.2 tttp -148.38 123.33 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 5.1 mt-10 -136.68 168.25 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.39 153.08 6.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -77.42 119.12 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.4 ttm -128.14 167.69 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.899 HG12 ' HB2' ' A' ' 26' ' ' ARG . 19.2 m -116.37 148.53 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 -154.38 156.17 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CE2' ' CB ' ' A' ' 87' ' ' PHE . 15.8 p90 -139.83 144.17 37.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 HG22 ' HD1' ' A' ' 86' ' ' TYR . 80.6 p -97.58 163.17 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 t -58.87 -57.68 11.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -66.37 -63.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.35 81.19 8.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' LEU . 31.1 m-80 -55.45 -36.36 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' ASN . 12.7 tp -34.7 100.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 22.7 ttm105 -46.95 155.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 52.6 mttp -145.6 121.47 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.899 ' HB2' HG12 ' A' ' 15' ' ' VAL . 13.2 ttm180 -109.31 122.9 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.573 ' CD2' ' OE1' ' A' ' 40' ' ' GLN . 16.8 m170 -143.43 164.86 29.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 90.4 t80 -73.8 90.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CH2' HG21 ' A' ' 88' ' ' VAL . 6.2 m0 -77.2 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' O ' HD12 ' A' ' 36' ' ' LEU . 9.4 ptm180 -126.13 131.55 52.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 5.4 tp -123.65 142.62 50.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.8 169.94 16.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.0 p -58.9 -13.41 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -90.09 -72.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 69.4 m -157.87 162.38 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 51' ' ' ILE . 13.6 tp -85.51 122.93 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 38' ' ' LEU . 37.9 m -113.25 155.94 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HG22 ' A' ' 37' ' ' THR . 5.8 mp -120.43 149.42 42.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -138.48 123.47 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.573 ' OE1' ' CD2' ' A' ' 27' ' ' HIS . 8.3 mm100 -66.47 -42.45 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -138.87 158.77 43.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.18 46.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -172.36 155.97 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 -172.4 19.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 m -118.36 -56.24 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 110.92 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.66 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -133.81 150.95 51.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 49' ' ' LYS . 51.5 t80 -62.43 -65.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 48' ' ' TYR . 25.4 mtpp -158.23 170.87 21.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.0 133.19 54.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.59 HD12 HD23 ' A' ' 36' ' ' LEU . 84.0 mt -118.75 92.54 44.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.77 129.58 17.82 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -38.99 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 22.7 m -69.36 -56.36 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' CG ' ' HB ' ' A' ' 81' ' ' THR . 4.9 tt0 -35.67 -63.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.8 mt -47.15 111.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.92 -60.75 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -165.28 -179.11 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mm -110.88 143.13 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.9 t -119.19 133.3 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -83.8 -67.87 0.18 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.856 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 53.7 Cg_endo -69.79 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 62' ' ' PRO . 11.5 mmt180 71.33 25.0 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -122.71 41.81 3.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -100.07 42.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 t -125.37 -17.37 5.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -80.4 -24.97 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.8 pt -99.29 -6.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -61.6 -36.64 81.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -96.27 -46.83 6.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.31 50.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -118.86 175.3 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.69 143.66 79.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 53.7 Cg_endo -69.77 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 1.8 p-80 -116.81 179.96 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 41.5 t -112.62 -42.67 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.65 160.63 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 42.3 mt-10 -119.65 128.12 53.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.493 HG22 HG23 ' A' ' 81' ' ' THR . 56.0 mt -94.34 94.44 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.9 mp -83.22 98.23 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 79' ' ' ILE . 47.7 p -99.06 166.28 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.96 -34.76 72.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 p -71.85 -71.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 42.6 mtp -148.09 169.74 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.69 131.4 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HD1' HG22 ' A' ' 18' ' ' THR . 56.5 m-85 -114.07 147.31 38.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 25.3 m-85 -118.73 109.82 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG21 ' CH2' ' A' ' 29' ' ' TRP . 21.5 t -115.08 145.26 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.54 131.09 5.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -142.89 109.65 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.918 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.48 140.51 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -84.1 41.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.06 -65.74 1.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -50.55 112.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.6 t -104.53 79.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.6 p -146.09 166.05 27.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -76.68 125.47 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -162.24 111.41 1.13 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.47 30.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 91.0 t -72.63 -47.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 mt -57.26 -61.09 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.79 ' HB2' ' OD1' ' A' ' 109' ' ' ASP . . . -52.45 -38.73 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -33.99 -48.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.7 p -82.11 -41.72 20.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.667 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 120.57 34.37 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.6 t -136.06 123.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.87 -162.37 24.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.554 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tp -87.35 -35.04 18.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.79 ' OD1' ' HB2' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -57.38 -59.64 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.667 HG21 ' HA2' ' A' ' 105' ' ' GLY . 11.3 p -53.29 -44.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -56.23 -51.86 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -40.49 -42.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -63.43 -51.52 65.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.596 ' CD1' ' HE2' ' A' ' 10' ' ' LYS . 60.8 m95 -60.18 -50.42 73.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -59.09 -43.26 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.09 -54.95 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.49 -42.08 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.05 -45.94 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -58.21 -50.53 73.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.92 -40.62 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.14 -55.72 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.3 mtp -46.61 -61.0 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.0 t -140.27 148.89 42.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.76 141.53 12.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 1.03 4.79 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -42.89 -48.1 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -87.85 -48.13 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.475 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -75.64 126.48 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.83 -73.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -104.89 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -156.89 116.05 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.2 -175.46 40.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mmt -45.06 128.76 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 32' ' ' ASP . 93.8 t -49.63 -53.44 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HE3' ' NE1' ' A' ' 114' ' ' TRP . 30.0 tttp -156.32 136.8 13.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 2.0 pp20? -143.72 165.04 28.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.19 161.9 8.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -76.28 130.71 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.8 tpp -136.72 157.99 45.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 26' ' ' ARG . 21.9 m -111.98 144.76 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -154.29 158.27 39.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.612 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 19.0 p90 -135.32 145.42 47.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.7 p -95.87 160.67 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t -58.06 -67.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -56.84 -55.14 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.45 99.52 11.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.1 p30 -65.06 -41.47 95.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' ASN . 8.9 tp -37.67 101.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -52.47 168.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 23.5 mtpt -148.42 129.86 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . 49.2 ttt180 -111.69 122.52 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 14.4 m80 -145.36 163.24 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -75.05 100.7 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CH2' HG21 ' A' ' 88' ' ' VAL . 10.9 m0 -81.11 142.17 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.675 ' O ' HD12 ' A' ' 36' ' ' LEU . 28.0 ttt180 -137.4 128.47 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 28.1 tp -127.19 139.23 53.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' HA ' HG23 ' A' ' 9' ' ' VAL . 12.7 t70 -138.49 -174.48 3.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.3 m -76.25 1.63 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -105.67 -74.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.9 m -155.0 162.15 41.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 30' ' ' ARG . 26.8 tp -84.42 145.24 28.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -149.47 131.3 15.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' CD1' ' A' ' 29' ' ' TRP . 10.7 mp -89.0 174.16 8.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -156.59 118.68 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -50.62 -42.91 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -132.48 167.87 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.31 -32.73 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 t -111.56 102.82 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.47 156.33 16.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -97.3 -49.05 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -54.87 134.23 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -93.95 156.95 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -91.39 -45.05 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -169.91 162.06 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -122.25 133.34 54.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 44.7 mt -127.25 96.5 33.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.76 129.35 17.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' PRO . 80.3 mt -33.95 -33.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.1 m -62.06 -51.26 68.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' PRO . 1.5 tp10 -39.54 -51.17 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.3 mp -57.89 86.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.441 HD12 HG22 ' A' ' 80' ' ' ILE . 8.8 mt -53.17 -57.87 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -170.09 175.29 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.13 135.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB2' HD11 ' A' ' 80' ' ' ILE . 7.8 t -80.16 148.45 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -69.51 160.27 80.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.678 0.752 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -164.03 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 58.48 35.76 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -121.53 44.04 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.81 42.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ILE . 59.7 p -102.57 -43.69 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.58 -26.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.835 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -117.38 161.44 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' GLN . 8.0 t -98.27 134.69 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' SER . 20.8 pt20 34.28 42.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.19 95.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.42 90.56 8.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.37 31.21 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -107.24 150.73 26.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 108' ' ' LEU . 53.1 t -76.96 -50.84 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 42.4 p90 -140.85 179.29 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.1 mt-10 -136.74 117.02 13.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.444 HG22 HG23 ' A' ' 81' ' ' THR . 63.9 mt -82.25 104.52 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.78 HD11 ' HB2' ' A' ' 60' ' ' SER . 5.3 mp -93.03 103.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' ILE . 32.5 p -107.03 141.16 38.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' THR . 1.8 m-20 -35.6 -42.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.7 p -62.03 -64.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 27.6 mtp -158.58 169.99 23.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.4 t -89.66 144.2 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -130.22 138.76 50.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 13.5 m-85 -114.19 111.17 21.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG21 ' CH2' ' A' ' 29' ' ' TRP . 16.4 t -114.46 147.59 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.04 103.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.09 113.76 27.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -104.38 114.47 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -126.75 42.06 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.89 121.49 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -61.66 178.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -40.35 134.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 94.4 p -161.33 163.28 30.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -82.61 43.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -115.83 76.08 5.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.604 0.716 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.77 19.41 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.86 -38.88 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -48.83 -47.34 42.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -69.73 -46.51 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.19 -38.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.5 p -89.25 -59.77 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.824 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 141.89 41.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.05 97.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.92 -166.96 28.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 76' ' ' CYS . 65.1 tp -89.89 -37.23 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -51.72 -44.07 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.824 HG21 ' HA2' ' A' ' 105' ' ' GLY . 11.2 p -73.88 -29.96 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.99 -46.07 68.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.21 -47.31 54.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m -54.86 -46.51 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' NE1' ' HE3' ' A' ' 10' ' ' LYS . 30.2 m95 -58.41 -57.5 12.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.56 ' OE1' ' CD2' ' A' ' 77' ' ' PHE . 19.1 tp10 -53.23 -41.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -57.22 -40.38 77.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 -55.96 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.37 -47.46 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -63.53 -51.75 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -52.05 -45.27 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.15 -41.38 62.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 87.7 mt -41.58 -48.25 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' A' ' 124' ' ' SER . 4.5 ptm -93.52 -52.24 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 123' ' ' MET . 3.9 t -42.31 162.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.28 125.09 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 108.87 2.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 p -87.04 117.35 25.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.1 t -81.17 86.85 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -57.31 108.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -124.47 87.97 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.77 -64.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -45.77 130.68 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -123.17 125.22 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.49 58.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.92 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 9' ' ' VAL . 15.1 m -148.93 107.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -152.08 137.56 17.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.4 pt-20 -159.9 172.22 18.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 172.77 24.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -77.89 116.84 18.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.746 0.308 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 88' ' ' VAL . 14.2 ttm -130.93 153.64 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 26' ' ' ARG . 10.2 m -112.72 145.92 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -153.46 171.16 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 52.5 p90 -151.67 137.63 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -84.73 171.59 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -68.58 -35.81 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -85.14 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.84 86.93 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -58.35 -32.46 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tp -38.21 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 ttm105 -49.48 148.51 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 19.1 mtpp -138.32 125.72 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HB2' HG12 ' A' ' 15' ' ' VAL . 7.7 ttp-105 -107.74 121.23 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 8.1 m80 -142.6 160.47 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -73.4 87.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' CH2' HG21 ' A' ' 88' ' ' VAL . 7.0 m0 -64.43 131.07 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.4 mmm180 -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.5 tp -130.82 146.51 52.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -157.84 -178.4 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.4 t -76.03 6.49 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.08 -72.61 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m -156.54 159.88 38.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 30' ' ' ARG . 16.1 tp -88.29 129.76 35.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -127.5 140.05 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.21 130.61 55.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 46.8 m-85 -123.98 104.0 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 39' ' ' PHE . 93.2 mt-30 -35.35 -36.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.32 175.63 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -75.53 63.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 t -135.45 176.34 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 39' ' ' PHE . . . -133.33 -28.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.552 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -53.47 -67.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -96.47 118.77 33.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -95.94 -175.72 3.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -121.52 -58.51 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 48' ' ' TYR . 17.6 mmmt -143.55 162.43 35.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.39 130.86 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -128.7 92.73 39.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.2 Cg_endo -69.75 134.31 27.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 121' ' ' ALA . 53.3 mt -38.59 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' PRO . 13.6 t -68.64 -52.64 29.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.2 -60.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.9 mt -49.25 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.05 -56.22 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -162.48 168.55 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 46.8 mm -109.79 128.11 66.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.2 t -91.74 160.06 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -84.65 157.28 61.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -2.3 9.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -39.15 -54.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.67 114.52 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -126.2 57.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 p -101.22 -23.93 14.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.414 ' ND2' ' CE2' ' A' ' 17' ' ' TYR . 47.7 t30 -97.93 55.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.88 -178.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -163.88 160.18 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -40.38 101.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.76 53.76 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -109.46 131.31 55.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -63.06 118.04 38.89 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.72 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -116.3 165.17 13.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 44.8 t -100.85 -45.26 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 32.4 p90 -148.16 169.24 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.8 mp0 -132.56 126.72 33.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.95 98.3 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 78' ' ' GLU . 4.2 mp -85.73 116.3 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -120.83 161.48 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -55.16 -35.37 64.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 84' ' ' MET . 63.5 p -68.82 -75.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.403 ' N ' ' OG1' ' A' ' 83' ' ' THR . 52.4 mtp -144.99 169.6 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 80' ' ' ILE . 22.7 t -90.22 137.92 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -122.2 144.94 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 31.4 m-85 -119.37 109.03 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' CH2' ' A' ' 29' ' ' TRP . 15.6 t -113.42 134.57 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.08 120.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -132.54 104.54 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -100.59 120.86 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -114.43 -14.7 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -111.29 73.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -52.05 -43.95 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 89.1 p -133.38 63.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 p -153.13 154.57 35.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -126.92 109.0 11.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -148.33 105.01 3.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.53 26.33 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.3 t -75.33 -44.43 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.5 mt -45.66 -22.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -70.95 -47.05 61.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . -34.26 -50.62 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 78.7 p -75.22 -45.92 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 120.85 38.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 p -128.34 132.11 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 114.48 170.57 16.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.565 HD11 HE21 ' A' ' 112' ' ' GLN . 13.2 tp -69.52 -46.21 67.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LEU . 4.1 m-20 -35.58 -61.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.51 -38.79 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.82 67.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.565 HE21 HD11 ' A' ' 108' ' ' LEU . 71.0 mm-40 -43.83 -44.21 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.9 m -64.36 -47.59 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -62.83 -63.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 77' ' ' PHE . 10.6 tt0 -43.49 -40.3 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -68.92 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.09 -57.24 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.88 -58.61 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -52.66 -36.33 56.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -23.13 53.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.39 -31.71 72.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp -70.26 -39.98 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 21.2 mtm -58.97 -42.39 89.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.7 t -63.31 -50.37 70.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.28 -159.13 21.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -2.71 10.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.7 t -41.16 98.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.8 p -114.75 42.12 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.71 103.25 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.6 m -99.13 129.11 45.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 113.06 2.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -113.65 129.66 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -100.54 119.59 38.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.16 -143.38 8.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -107.38 133.83 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' A' ' 32' ' ' ASP . 62.7 t -98.52 -50.24 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.19 159.28 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . 159.22 -179.36 34.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.526 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -94.43 121.75 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.3 tpp -134.57 151.89 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 ' HB2' ' A' ' 26' ' ' ARG . 18.8 m -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -150.47 158.03 43.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 87' ' ' PHE . 33.6 p90 -139.23 170.6 15.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -104.67 -178.23 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t -103.76 -6.0 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -110.19 -35.88 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.51 -17.45 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 41.81 30.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.11 106.81 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.974 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -64.28 122.75 17.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 35.5 mttt -121.38 121.5 37.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.77 ' HB2' HG12 ' A' ' 15' ' ' VAL . 8.6 ttp-105 -106.75 116.81 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 21.0 m80 -144.78 161.4 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 12' ' ' GLY . 6.0 t80 -73.88 85.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' HD21 ' A' ' 38' ' ' LEU . 7.3 m0 -63.43 129.53 40.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.744 ' O ' HD12 ' A' ' 36' ' ' LEU . 72.2 mtt180 -126.72 128.46 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.5 tp -120.44 142.28 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.02 -178.86 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.0 p -78.88 8.4 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -114.3 -70.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.8 m -154.43 160.15 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 30' ' ' ARG . 13.6 tp -88.02 114.55 24.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.53 151.21 30.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD21 ' NE1' ' A' ' 29' ' ' TRP . 7.4 mp -119.73 160.13 23.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 87.2 m-85 -144.74 141.05 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -69.43 -38.57 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -126.08 170.35 11.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -59.93 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -48.93 163.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.73 82.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -94.78 -52.22 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -159.11 129.02 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.95 149.04 28.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -92.83 -44.78 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -157.65 145.45 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -107.79 126.57 52.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.426 HG23 ' OE1' ' A' ' 55' ' ' GLU . 58.1 mt -123.68 92.73 48.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.59 0.709 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.71 137.45 35.64 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.0 mt -42.38 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' PRO . 16.3 m -64.52 -51.0 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' OE1' HG23 ' A' ' 51' ' ' ILE . 10.6 tt0 -47.32 -56.45 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.38 103.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.58 -59.07 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -157.76 -176.01 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 60' ' ' SER . 47.4 mm -110.6 157.59 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.695 ' HB2' HD11 ' A' ' 80' ' ' ILE . 2.4 t -90.47 -176.86 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -104.9 142.78 25.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -9.15 25.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -55.46 -43.46 75.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.25 110.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.68 22.95 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.4 p -89.61 -34.92 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.03 -14.87 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.0 pt -114.58 -179.56 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -158.89 169.73 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -59.66 -19.12 47.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.64 -82.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 t -61.79 172.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -81.33 143.48 52.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -168.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -135.65 157.73 46.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 50.4 t -97.53 -50.93 4.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -141.88 173.16 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.634 ' CD ' ' CE2' ' A' ' 87' ' ' PHE . 47.7 mt-10 -135.79 133.29 37.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.9 mt -95.62 112.21 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.695 HD11 ' HB2' ' A' ' 60' ' ' SER . 4.5 mp -91.83 125.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.2 p -115.24 -176.47 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.27 4.35 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.7 p -119.66 -74.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 35.2 mtp -136.32 168.75 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.47 142.91 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -115.01 140.91 48.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 17' ' ' TYR . 17.3 m-85 -113.21 102.36 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.0 139.97 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.83 134.07 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -150.04 105.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -117.88 110.83 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -49.44 -43.08 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.35 -105.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -42.43 138.15 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -122.6 93.5 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m -133.76 149.65 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 11.4 p-80 -40.39 119.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -174.29 117.33 0.34 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.75 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 101' ' ' LEU . 14.7 p -38.73 -44.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' N ' HG13 ' A' ' 100' ' ' VAL . 78.2 mt -46.01 -44.64 15.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.5 -46.83 21.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -40.26 -48.34 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.5 p -77.74 -33.6 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 104.64 32.1 4.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.3 t -135.74 145.36 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.79 170.53 13.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.94 -37.6 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.26 -50.65 61.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.79 -30.34 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . . . -71.65 -52.44 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ALA . 53.1 mt-30 -38.43 -34.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 t -74.8 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -46.5 -33.81 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.78 -45.24 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' CG ' ' N ' ' A' ' 117' ' ' ALA . 7.7 ptmt -74.51 -51.83 13.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.566 ' N ' ' CG ' ' A' ' 116' ' ' LYS . . . -43.12 -54.24 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.6 -38.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -65.88 -35.27 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.05 -49.25 59.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.32 -49.6 33.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.5 mt -46.38 -41.91 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' SER . 39.8 mtm -72.99 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' MET . 36.9 t -35.3 121.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.98 -92.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.87 2.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -148.47 131.76 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.9 t -99.65 43.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p 39.17 43.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -80.99 42.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.48 56.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -114.17 146.05 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -101.16 -61.79 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -158.29 -38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.4 mmt -37.65 -39.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 9' ' ' VAL . 19.6 m -141.31 109.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -136.57 145.4 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -161.73 154.94 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.46 156.35 7.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CZ3' ' HA ' ' A' ' 27' ' ' HIS . 89.3 m95 -72.08 113.7 9.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.317 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.2 tpp -119.79 157.51 28.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 90' ' ' GLU . 27.1 m -116.74 140.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 10.3 p-80 -153.6 170.52 20.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 27.5 p90 -153.96 152.0 30.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 p -84.57 156.8 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 t -59.31 -44.93 92.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.27 -62.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.2 121.45 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -91.0 41.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 tp -93.89 86.66 5.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -43.53 138.91 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 40.8 mttm -133.03 125.18 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 9.7 ttm180 -108.33 125.95 52.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 26' ' ' ARG . 27.2 m80 -153.02 162.84 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.8 83.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 88' ' ' VAL . 5.4 m95 -63.48 126.41 27.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' LEU . 8.7 mmt85 -115.99 128.58 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -131.17 145.44 51.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.76 163.65 36.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -56.12 -14.19 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -85.79 -70.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.549 ' HG ' ' C ' ' A' ' 51' ' ' ILE . 45.7 t -160.47 162.46 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 30' ' ' ARG . 8.3 tp -95.95 130.1 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 49' ' ' LYS . 3.8 m -137.62 147.79 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 8.6 mp -104.14 164.09 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 11.8 m-85 -133.67 120.42 20.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.44 -53.82 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.88 175.15 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -39.32 84.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -83.28 120.07 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.64 76.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 m -71.8 100.24 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 47' ' ' TYR . 6.9 mtmp? -132.94 126.48 32.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 37' ' ' THR . 0.5 OUTLIER -31.92 138.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 17.5 t80 -110.69 -36.97 5.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 37' ' ' THR . 7.4 tptp -172.95 154.52 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -111.33 105.6 14.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.549 ' C ' ' HG ' ' A' ' 35' ' ' CYS . 42.3 mt -114.99 92.44 30.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.66 0.743 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 54' ' ' SER . 53.5 Cg_endo -69.79 127.59 14.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 122' ' ' LEU . 23.4 mt -38.02 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 p -64.66 -61.5 2.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' SER . 4.8 mm-40 -34.53 -54.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 81' ' ' THR . 27.8 mt -53.38 100.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.27 -65.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -153.92 165.72 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 77' ' ' PHE . 49.4 mm -103.82 114.11 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.601 ' HB2' HD11 ' A' ' 80' ' ' ILE . 19.2 t -68.6 -177.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -116.61 160.99 34.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.733 0.778 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.272 . . . . 0.0 112.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -57.21 -44.39 83.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.84 107.19 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -119.55 41.79 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 67' ' ' ASN . 9.7 t -97.22 -42.92 7.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.704 ' ND2' HG23 ' A' ' 68' ' ' ILE . 4.9 p-10 -35.88 -41.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -115.27 167.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -111.34 95.17 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 56.44 41.06 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.93 108.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -38.1 -49.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.889 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 6.8 m120 -102.71 96.28 7.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 73' ' ' ASN . 53.6 Cg_endo -69.78 176.35 6.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -110.18 150.58 28.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.4 -41.87 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 43.2 p90 -149.38 178.25 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 87' ' ' PHE . 11.7 mt-10 -142.53 137.34 30.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 HG23 ' A' ' 81' ' ' THR . 72.0 mt -95.02 100.67 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.72 HG13 HG13 ' A' ' 85' ' ' VAL . 5.0 mp -89.78 101.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 HG22 ' A' ' 79' ' ' ILE . 66.1 p -110.22 144.28 39.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.0 t70 -34.45 -56.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 84' ' ' MET . 1.5 t -47.66 -59.73 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.691 ' H ' HG23 ' A' ' 83' ' ' THR . 6.5 ptm -163.58 169.55 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.72 HG13 HG13 ' A' ' 80' ' ' ILE . 93.2 t -94.26 138.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 53.5 m-85 -124.36 152.37 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 2.4 m-85 -123.45 119.75 30.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 16' ' ' HIS . 57.9 t -122.11 142.32 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.57 125.05 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.445 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.622 ' HB2' HG21 ' A' ' 15' ' ' VAL . 46.7 tt0 -127.79 115.02 18.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -114.56 115.37 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -86.08 -44.76 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' ASP . . . 85.13 -50.38 4.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' GLY . 21.1 m-20 -37.08 -49.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.2 t -141.2 144.57 34.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.5 m -120.06 -61.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 98' ' ' ASN . 28.6 m80 -42.28 -43.95 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 97' ' ' HIS . 9.3 m-20 -32.86 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' HIS . 54.2 Cg_endo -69.66 -11.72 31.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 88.7 t -75.29 -48.59 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.9 mt -50.71 -56.0 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 103' ' ' ALA . . . -60.19 -44.08 95.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 100' ' ' VAL . . . -37.01 -51.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.14 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.4 p -78.31 -42.1 31.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.875 ' HA2' HG21 ' A' ' 110' ' ' VAL . . . 137.83 40.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG13 ' OE2' ' A' ' 90' ' ' GLU . 89.6 t -127.03 113.2 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.2 -178.08 19.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 tp -83.87 -53.44 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.788 0.327 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -43.6 -53.72 5.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.875 HG21 ' HA2' ' A' ' 105' ' ' GLY . 7.1 p -51.16 -40.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -67.12 -46.4 74.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -42.98 -42.95 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -63.37 -44.73 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -62.02 -44.16 97.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.94 -51.78 68.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -61.16 -44.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.39 -57.55 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.0 mt -55.66 -45.12 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -63.26 -59.46 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.36 -44.5 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -43.89 -46.84 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 8.4 mt -58.96 -54.24 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.0 mmt -40.91 -58.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 t -89.64 119.94 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 172.24 -84.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.428 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 140.21 42.17 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 1.7 t -128.65 -51.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' SER . 46.7 t -37.4 132.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -62.71 162.79 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -163.07 154.36 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 169.64 14.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -112.78 -53.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -94.27 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.07 -59.93 4.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mmt -79.78 129.29 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 32' ' ' ASP . 12.4 p -56.88 -29.97 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' HE2' ' CE2' ' A' ' 114' ' ' TRP . 3.2 ttpm? -172.36 128.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.83 174.2 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.64 160.37 9.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CE3' ' CZ ' ' A' ' 26' ' ' ARG . 88.2 m95 -68.58 131.16 44.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 ttm -148.55 154.68 40.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 ' HE ' ' A' ' 24' ' ' ARG . 4.9 m -116.36 148.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' CB ' HG22 ' A' ' 88' ' ' VAL . 19.1 p-80 -154.3 163.25 40.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -152.34 163.58 39.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -96.66 -175.99 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 t -96.58 -28.77 14.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -79.11 -55.68 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.84 -46.04 8.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 68.03 31.58 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.8 109.71 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.682 ' HE ' HG21 ' A' ' 15' ' ' VAL . 53.7 ttt180 -66.2 116.69 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 48.2 mttm -122.25 129.37 52.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HB2' HG12 ' A' ' 15' ' ' VAL . 35.3 ttt-85 -109.32 124.04 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 28.2 m80 -148.27 160.86 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.69 86.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.621 ' CH2' HG21 ' A' ' 88' ' ' VAL . 4.4 m0 -66.49 117.9 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 39' ' ' PHE . 11.9 mtp-105 -119.34 128.35 54.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HG12 ' A' ' 9' ' ' VAL . 6.1 tp -120.63 140.82 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.3 t0 -134.6 -172.53 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -79.97 2.14 24.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -109.76 -71.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.9 p -153.04 162.08 41.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 HD12 ' A' ' 51' ' ' ILE . 6.1 tp -84.79 149.08 25.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -144.85 147.39 32.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 38' ' ' LEU . 6.8 mp -112.72 118.36 34.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 11.4 m-85 -103.25 107.39 18.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -41.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -125.43 165.61 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -49.91 -43.48 49.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -134.69 145.47 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.43 161.09 8.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -97.17 -179.66 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 61.89 50.05 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -47.12 150.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -43.79 -55.83 4.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -168.34 170.08 10.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' CD ' ' HD3' ' A' ' 52' ' ' PRO . 11.4 tm-20 -120.83 139.3 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 56' ' ' ILE . 55.9 mt -125.95 97.88 34.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.741 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.76 128.02 15.42 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' PRO . 72.4 mt -35.69 -38.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -54.48 -51.08 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -56.13 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 56' ' ' ILE . 5.2 mp -53.93 124.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.8 mt -96.49 -52.31 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -174.86 173.7 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mm -99.75 149.09 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.676 ' CB ' HD11 ' A' ' 80' ' ' ILE . 45.4 t -125.5 121.08 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' CD ' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -75.21 -62.09 0.89 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 61' ' ' SER . 52.9 Cg_endo -69.82 -163.57 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 63.44 39.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -175.02 104.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -131.69 -44.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.6 p -141.54 112.03 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -107.97 -48.38 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.4 pt -124.11 -3.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -174.59 174.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.86 -62.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.65 57.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -89.27 -46.77 8.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -134.14 84.59 41.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 176.95 6.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 10.3 p-80 -114.13 160.35 19.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.6 t -95.72 -52.33 4.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 88' ' ' VAL . 43.1 p90 -144.64 159.25 43.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 63.9 mt-10 -123.9 122.68 38.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 81' ' ' THR . 41.7 mt -83.61 103.17 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 60' ' ' SER . 4.5 mp -86.15 102.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 56' ' ' ILE . 66.3 p -114.17 172.28 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -52.14 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 84' ' ' MET . 0.9 OUTLIER -51.31 -62.33 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.717 ' H ' HG23 ' A' ' 83' ' ' THR . 7.3 ptm -163.96 169.9 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -90.07 124.14 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 40.0 m-85 -107.5 157.05 18.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 2.0 m-85 -130.3 117.16 19.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.621 HG21 ' CH2' ' A' ' 29' ' ' TRP . 40.0 t -120.95 147.13 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.87 84.62 1.5 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.46 132.91 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -127.66 141.95 51.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -79.62 -44.4 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.63 -104.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -95.58 108.0 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.5 m -155.69 108.91 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -64.54 -53.73 43.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.97 136.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 1.2 p-10 -163.11 107.0 1.01 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 98' ' ' ASN . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.4 -46.04 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' ALA . 11.6 mt -83.32 -57.99 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -37.61 -39.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.77 -54.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.4 p -77.48 -17.67 57.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . . . 105.6 41.51 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.522 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' OE2' ' A' ' 90' ' ' GLU . 95.3 t -124.82 108.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 111.083 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.37 167.6 13.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.19 -43.57 16.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -46.9 -52.13 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 111' ' ' ALA . 9.3 p -60.15 -41.93 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 110' ' ' VAL . . . -59.91 -51.37 70.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -39.81 -43.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.3 m -60.56 -56.9 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CE2' ' HE2' ' A' ' 10' ' ' LYS . 45.1 m95 -52.1 -46.83 65.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -54.02 -46.28 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -62.15 -46.7 87.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.42 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.452 ' O ' HD13 ' A' ' 122' ' ' LEU . 86.7 mt -44.59 -39.12 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -71.22 -44.77 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.17 -51.24 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -39.05 -47.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 118' ' ' ILE . 9.9 mp -49.2 -47.99 45.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.55 -60.59 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -105.73 99.43 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.88 -95.19 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' SER . 54.2 Cg_endo -69.77 1.09 4.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' PRO . 13.3 m -34.51 135.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.2 t -157.17 121.8 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 stop_ save_