data_2rmo_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 2rmo _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.838 0.352 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.413 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.354 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.41 40.55 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -129.01 31.21 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.95 95.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.31 35.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.43 -64.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -155.84 151.27 26.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -60.46 145.97 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.64 26.09 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 51.97 71.18 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.54 125.94 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 t -179.09 111.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.21 22.41 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -49.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -179.53 167.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -64.54 147.11 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.07 52.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -119.01 52.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -115.68 43.74 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 p -156.05 117.82 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.66 -31.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -26.46 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.07 121.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -65.5 160.86 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 mt -128.52 62.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.98 48.41 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.13 39.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.82 122.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.61 -11.23 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -40.52 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 177.57 137.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.64 156.04 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 44.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -120.59 37.3 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -122.26 171.49 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 t -178.76 118.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.58 12.74 2.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.09 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 177.99 104.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -58.52 147.93 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.53 -4.41 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -101.62 28.2 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.07 29.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -159.45 119.69 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.19 -30.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -29.53 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 179.7 126.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.36 153.65 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.24 44.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tmm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.65 33.92 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -100.23 38.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.17 100.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.62 44.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.89 -46.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.88 89.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -80.07 148.54 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.36 53.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -103.55 44.56 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -122.39 59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -166.79 91.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.94 30.18 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -18.4 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 178.1 120.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.53 147.73 47.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.43 23.33 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 51.97 36.65 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -87.21 85.18 7.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.38 102.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.75 38.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -45.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -178.87 97.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -77.62 140.82 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.74 44.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.08 47.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.8 119.79 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.7 p -155.89 118.04 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.21 -31.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -25.59 25.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.04 124.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -55.33 118.51 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.9 14.29 32.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -101.55 38.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.84 101.96 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.68 106.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.05 40.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -53.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -155.89 58.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -69.77 143.57 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.2 57.4 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 55.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.92 56.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.73 125.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.32 -20.33 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 -65.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.318 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.0 162.32 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -60.71 156.25 17.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.11 62.47 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.0 54.26 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -169.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -175.82 127.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.64 -28.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -166.92 92.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -52.2 154.55 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mt -117.01 57.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.51 47.53 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -115.18 56.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.75 110.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.92 -18.38 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -60.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -176.13 102.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -70.39 110.29 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.53 12.44 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 53.63 37.41 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.65 -176.66 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.94 112.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.04 36.01 2.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 -66.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -175.45 154.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -60.01 156.66 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt -129.21 61.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -116.7 22.27 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 51.79 43.6 29.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 t 179.71 110.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.74 25.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -64.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.21 63.04 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -62.83 148.94 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.98 55.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -97.98 40.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -114.8 104.65 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.63 123.24 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.77 -19.08 0.5 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -49.45 -30.83 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -161.47 49.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.31 159.88 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.8 mt -123.53 60.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.31 40.15 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.85 43.65 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -176.49 128.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.2 -22.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -25.46 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.56 105.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -52.86 152.66 3.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.27 -6.34 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.14 38.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -136.61 149.83 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -179.35 128.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.69 -32.5 32.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 -60.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -177.91 148.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -75.8 141.93 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.93 26.55 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -111.88 31.22 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -127.55 50.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.5 120.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.94 -15.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 -56.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 179.87 105.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -68.3 147.01 52.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -104.06 49.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 HG22 ' A' ' 30' ' ' ILE . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' ' 68' ' ' LYS . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 11' ' ' ALA . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 59' ' ' GLY . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.988 HG22 HD22 ' A' ' 8' ' ' LEU . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.697 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.458 ' N ' HD23 ' A' ' 8' ' ' LEU . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 34' ' ' LEU . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.697 HG12 HD12 ' A' ' 31' ' ' LEU . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG2' HD12 ' A' ' 34' ' ' LEU . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.632 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' PRO . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.9 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.057 HD22 HG22 ' A' ' 30' ' ' ILE . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.695 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 67' ' ' LYS . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.562 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.057 HG22 HD22 ' A' ' 8' ' ' LEU . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' HG21 ' A' ' 44' ' ' VAL . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 8' ' ' LEU . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' LEU . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 54' ' ' THR . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.609 ' CG1' HG23 ' A' ' 23' ' ' VAL . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 12' ' ' LEU . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 9' ' ' VAL . 4.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD22 HG22 ' A' ' 30' ' ' ILE . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 11' ' ' ALA . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.872 HG22 HD22 ' A' ' 8' ' ' LEU . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 46' ' ' VAL . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 33' ' ' LEU . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG22 HD23 ' A' ' 31' ' ' LEU . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 23' ' ' VAL . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 62' ' ' PRO . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.9 ptpp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.838 0.352 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 31' ' ' LEU . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 68' ' ' LYS . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 11' ' ' ALA . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.442 ' SD ' HG11 ' A' ' 66' ' ' VAL . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.717 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 31' ' ' LEU . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' HD22 ' A' ' 34' ' ' LEU . 68.6 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 62' ' ' PRO . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 11' ' ' ALA . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.592 ' C ' HD22 ' A' ' 31' ' ' LEU . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.874 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 45' ' ' GLU . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 33' ' ' LEU . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 34' ' ' LEU . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 31' ' ' LEU . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 54' ' ' THR . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 HG23 ' A' ' 23' ' ' VAL . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.7 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.907 HD22 HG22 ' A' ' 30' ' ' ILE . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 29' ' ' ASP . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.907 HG22 HD22 ' A' ' 8' ' ' LEU . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.604 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.437 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.413 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.5 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.494 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.739 ' O ' HD23 ' A' ' 31' ' ' LEU . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' ILE . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.715 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 31' ' ' LEU . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.619 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.681 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 mtmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.009 HD22 HG22 ' A' ' 30' ' ' ILE . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.42 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.009 HG22 HD22 ' A' ' 8' ' ' LEU . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 8' ' ' LEU . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.505 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.603 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 HG23 ' A' ' 23' ' ' VAL . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' PRO . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' VAL . 8.0 ptpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 30' ' ' ILE . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 11' ' ' ALA . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 67' ' ' LYS . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 8' ' ' LEU . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.886 HD12 HG12 ' A' ' 46' ' ' VAL . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.501 ' HB3' HD21 ' A' ' 33' ' ' LEU . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HB2' HD11 ' A' ' 34' ' ' LEU . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.886 HG12 HD12 ' A' ' 31' ' ' LEU . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.419 ' HG2' HD12 ' A' ' 34' ' ' LEU . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.61 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 23' ' ' VAL . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' PRO . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 12' ' ' LEU . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HA ' HG12 ' A' ' 9' ' ' VAL . 29.7 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 30' ' ' ILE . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.425 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' ILE . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HB3' HD21 ' A' ' 33' ' ' LEU . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 31' ' ' LEU . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 34' ' ' LEU . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 31' ' ' LEU . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.538 ' HG2' HD12 ' A' ' 34' ' ' LEU . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PRO . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.4 tppp? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.708 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.568 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.5 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.686 ' C ' HD22 ' A' ' 31' ' ' LEU . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.911 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.771 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 33' ' ' LEU . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.911 HG12 HD12 ' A' ' 31' ' ' LEU . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 57' ' ' ARG . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' CD ' ' HB2' ' A' ' 48' ' ' ALA . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.561 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.422 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 11' ' ' ALA . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 ptpp? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 HD22 HG22 ' A' ' 30' ' ' ILE . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG22 HD22 ' A' ' 8' ' ' LEU . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.908 HD12 HG12 ' A' ' 46' ' ' VAL . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 33' ' ' LEU . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 HD12 ' A' ' 31' ' ' LEU . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 54' ' ' THR . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.442 HG22 ' OG1' ' A' ' 49' ' ' THR . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.671 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 23' ' ' VAL . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 9' ' ' VAL . 12.1 ptmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.056 HD12 HG22 ' A' ' 30' ' ' ILE . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' H ' ' A' ' 11' ' ' ALA . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.532 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 46' ' ' VAL . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.433 ' SD ' HG11 ' A' ' 66' ' ' VAL . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.462 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.056 HG22 HD12 ' A' ' 8' ' ' LEU . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.887 HD12 HG12 ' A' ' 46' ' ' VAL . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.776 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 31' ' ' LEU . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.745 ' HB2' ' HD3' ' A' ' 57' ' ' ARG . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.669 ' CE1' ' HB3' ' A' ' 48' ' ' ALA . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HD3' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' SD ' ' A' ' 25' ' ' MET . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD12 HG22 ' A' ' 30' ' ' ILE . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD12 HG12 ' A' ' 30' ' ' ILE . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.854 ' HE3' HG11 ' A' ' 61' ' ' VAL . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 31' ' ' LEU . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.754 HG22 HD12 ' A' ' 8' ' ' LEU . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.679 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.667 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG21 ' CE ' ' A' ' 25' ' ' MET . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 46' ' ' VAL . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.854 HG11 ' HE3' ' A' ' 25' ' ' MET . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.6 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.876 HD22 HG22 ' A' ' 30' ' ' ILE . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 10' ' ' LEU . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 ' HA3' ' A' ' 59' ' ' GLY . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.569 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.876 HG22 HD22 ' A' ' 8' ' ' LEU . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 46' ' ' VAL . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HD23 ' A' ' 8' ' ' LEU . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 36' ' ' SER . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' LEU . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 33' ' ' LEU . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 31' ' ' LEU . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.699 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 23' ' ' VAL . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.633 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 62' ' ' PRO . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.727 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.4 ptmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.033 HD22 HG22 ' A' ' 30' ' ' ILE . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 68' ' ' LYS . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 11' ' ' ALA . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 8' ' ' LEU . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 30' ' ' ILE . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 33' ' ' LEU . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG21 HD23 ' A' ' 31' ' ' LEU . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 31' ' ' LEU . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' CG1' HG23 ' A' ' 23' ' ' VAL . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.664 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' PRO . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.76 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.3 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.043 HD22 HG22 ' A' ' 30' ' ' ILE . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 11' ' ' ALA . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 67' ' ' LYS . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.409 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.043 HG22 HD22 ' A' ' 8' ' ' LEU . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.693 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.526 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 33' ' ' LEU . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HD12 ' A' ' 31' ' ' LEU . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' ASP . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.606 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.471 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' LEU . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.692 ' C ' HD22 ' A' ' 31' ' ' LEU . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 31' ' ' LEU . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 62' ' ' PRO . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.6 mppt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.354 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.879 HD22 HG22 ' A' ' 30' ' ' ILE . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 11' ' ' ALA . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 31' ' ' LEU . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.879 HG22 HD22 ' A' ' 8' ' ' LEU . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 25' ' ' MET . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 66' ' ' VAL . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 62' ' ' PRO . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 32' ' ' THR . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 29' ' ' ASP . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.828 ' HE3' HG11 ' A' ' 61' ' ' VAL . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 31' ' ' LEU . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.629 ' C ' HD22 ' A' ' 31' ' ' LEU . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.765 HG21 ' CE ' ' A' ' 25' ' ' MET . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 31' ' ' LEU . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 ' HE3' ' A' ' 25' ' ' MET . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.41 40.55 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -129.01 31.21 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.95 95.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.31 35.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.43 -64.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -155.84 151.27 26.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 HG22 ' A' ' 30' ' ' ILE . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' ' 68' ' ' LYS . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 59' ' ' GLY . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.988 HG22 HD22 ' A' ' 8' ' ' LEU . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.697 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.458 ' N ' HD23 ' A' ' 8' ' ' LEU . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 34' ' ' LEU . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.697 HG12 HD12 ' A' ' 31' ' ' LEU . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG2' HD12 ' A' ' 34' ' ' LEU . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.632 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' PRO . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.9 ttmm -60.46 145.97 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -98.64 26.09 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 51.97 71.18 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.54 125.94 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -179.09 111.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.21 22.41 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -135.05 -49.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -179.53 167.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.057 HD22 HG22 ' A' ' 30' ' ' ILE . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.695 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 67' ' ' LYS . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.562 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.057 HG22 HD22 ' A' ' 8' ' ' LEU . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' HG21 ' A' ' 44' ' ' VAL . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 6' ' ' LYS . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' LEU . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 54' ' ' THR . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.609 ' CG1' HG23 ' A' ' 23' ' ' VAL . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 12' ' ' LEU . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 9' ' ' VAL . 4.1 ptmm? -64.54 147.11 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.07 52.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -119.01 52.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 4' ' ' THR . 65.3 mm-40 -115.68 43.74 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 8' ' ' LEU . 3.0 p -156.05 117.82 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.66 -31.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -26.46 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.07 121.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD22 HG22 ' A' ' 30' ' ' ILE . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.67 ' CB ' HD21 ' A' ' 69' ' ' LEU . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.872 HG22 HD22 ' A' ' 8' ' ' LEU . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 46' ' ' VAL . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 4' ' ' THR . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 33' ' ' LEU . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG22 HD23 ' A' ' 31' ' ' LEU . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 23' ' ' VAL . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 62' ' ' PRO . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.9 ptpp? -65.5 160.86 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' CB ' ' A' ' 10' ' ' LEU . 7.6 mt -128.52 62.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.98 48.41 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 4' ' ' THR . 5.6 mp0 -99.13 39.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.041 HG22 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -168.82 122.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.61 -11.23 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -40.52 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 177.57 137.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.041 HD11 HG22 ' A' ' 4' ' ' THR . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 68' ' ' LYS . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 11' ' ' ALA . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.442 ' SD ' HG11 ' A' ' 66' ' ' VAL . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.717 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 31' ' ' LEU . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' HD22 ' A' ' 34' ' ' LEU . 68.6 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 62' ' ' PRO . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -55.64 156.04 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 44.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -120.59 37.3 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -122.26 171.49 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' OG1' HG21 ' A' ' 32' ' ' THR . 4.7 t -178.76 118.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.58 12.74 2.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.09 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 177.99 104.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 11' ' ' ALA . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.592 ' C ' HD22 ' A' ' 31' ' ' LEU . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.874 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 45' ' ' GLU . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 33' ' ' LEU . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 34' ' ' LEU . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 31' ' ' LEU . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 54' ' ' THR . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 HG23 ' A' ' 23' ' ' VAL . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.7 ptpt -58.52 147.93 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 4.1 mm? -77.53 -4.41 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -101.62 28.2 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 4' ' ' THR . 9.9 pt-20 -99.07 29.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -159.45 119.69 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.19 -30.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -29.53 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 179.7 126.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.907 HD22 HG22 ' A' ' 30' ' ' ILE . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 29' ' ' ASP . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.907 HG22 HD22 ' A' ' 8' ' ' LEU . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.604 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.413 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.5 mtpt -53.36 153.65 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.24 44.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tmm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.65 33.92 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 4' ' ' THR . 23.1 pt-20 -100.23 38.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -164.17 100.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.62 44.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.89 -46.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.88 89.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.494 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.739 ' O ' HD23 ' A' ' 31' ' ' LEU . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' ILE . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.715 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 31' ' ' LEU . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.619 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.681 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 mtmm -80.07 148.54 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.36 53.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -103.55 44.56 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 4' ' ' THR . 16.1 pt-20 -122.39 59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -166.79 91.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.94 30.18 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -18.4 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 178.1 120.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.009 HD22 HG22 ' A' ' 30' ' ' ILE . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.42 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.009 HG22 HD22 ' A' ' 8' ' ' LEU . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 8' ' ' LEU . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.505 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.603 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 HG23 ' A' ' 23' ' ' VAL . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' PRO . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' VAL . 8.0 ptpt -71.53 147.73 47.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.43 23.33 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 51.97 36.65 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 4' ' ' THR . 36.4 mm-40 -87.21 85.18 7.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -164.38 102.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.75 38.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -45.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -178.87 97.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 30' ' ' ILE . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 11' ' ' ALA . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 67' ' ' LYS . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 8' ' ' LEU . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.886 HD12 HG12 ' A' ' 46' ' ' VAL . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.501 ' HB3' HD21 ' A' ' 33' ' ' LEU . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HB2' HD11 ' A' ' 34' ' ' LEU . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG12 HD12 ' A' ' 31' ' ' LEU . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' HG2' HD12 ' A' ' 34' ' ' LEU . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.61 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 23' ' ' VAL . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' PRO . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 12' ' ' LEU . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HA ' HG12 ' A' ' 9' ' ' VAL . 29.7 mtmt -77.62 140.82 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 10' ' ' LEU . 10.8 mp -91.74 44.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.08 47.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 4' ' ' THR . 3.3 tt0 -58.8 119.79 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 8' ' ' LEU . 3.7 p -155.89 118.04 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.21 -31.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -25.59 25.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.04 124.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 4' ' ' THR . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' A' ' 69' ' ' LEU . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.425 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' ILE . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HB3' HD21 ' A' ' 33' ' ' LEU . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 31' ' ' LEU . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 34' ' ' LEU . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 31' ' ' LEU . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.538 ' HG2' HD12 ' A' ' 34' ' ' LEU . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PRO . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.4 tppp? -55.33 118.51 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.9 14.29 32.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -101.55 38.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 4' ' ' THR . 5.5 mm-40 -79.84 101.96 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -171.68 106.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.05 40.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -53.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -155.89 58.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.708 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.568 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.686 ' C ' HD22 ' A' ' 31' ' ' LEU . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.911 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.771 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 33' ' ' LEU . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.911 HG12 HD12 ' A' ' 31' ' ' LEU . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 57' ' ' ARG . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' CD ' ' HB2' ' A' ' 48' ' ' ALA . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.561 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.422 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 11' ' ' ALA . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 ptpp? -69.77 143.57 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 68' ' ' LYS . 8.8 mp -118.2 57.4 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 55.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 4' ' ' THR . 1.9 pm0 -113.92 56.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -175.73 125.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.32 -20.33 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 -65.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.318 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.0 162.32 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD22 HG22 ' A' ' 30' ' ' ILE . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG22 HD22 ' A' ' 8' ' ' LEU . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.908 HD12 HG12 ' A' ' 46' ' ' VAL . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 33' ' ' LEU . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 HD12 ' A' ' 31' ' ' LEU . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 54' ' ' THR . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.442 HG22 ' OG1' ' A' ' 49' ' ' THR . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.671 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 23' ' ' VAL . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 9' ' ' VAL . 12.1 ptmt -60.71 156.25 17.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 10' ' ' LEU . 4.6 mt -129.11 62.47 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H2 ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 mpt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.0 54.26 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -169.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -175.82 127.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.64 -28.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -166.92 92.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.056 HD12 HG22 ' A' ' 30' ' ' ILE . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.766 ' HB2' HD21 ' A' ' 69' ' ' LEU . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.532 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 46' ' ' VAL . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.433 ' SD ' HG11 ' A' ' 66' ' ' VAL . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.056 HG22 HD12 ' A' ' 8' ' ' LEU . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.887 HD12 HG12 ' A' ' 46' ' ' VAL . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.776 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 31' ' ' LEU . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' H2 ' ' A' ' 1' ' ' MET . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.745 ' HB2' ' HD3' ' A' ' 57' ' ' ARG . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.669 ' CE1' ' HB3' ' A' ' 48' ' ' ALA . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HD3' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' SD ' ' A' ' 25' ' ' MET . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttpm? -52.2 154.55 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 10' ' ' LEU . 8.2 mt -117.01 57.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.51 47.53 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 4' ' ' THR . 56.0 mm-40 -115.18 56.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -163.75 110.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.92 -18.38 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -60.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -176.13 102.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD12 HG22 ' A' ' 30' ' ' ILE . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.854 ' HE3' HG11 ' A' ' 61' ' ' VAL . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 31' ' ' LEU . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.754 HG22 HD12 ' A' ' 8' ' ' LEU . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.667 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG21 ' CE ' ' A' ' 25' ' ' MET . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 46' ' ' VAL . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.854 HG11 ' HE3' ' A' ' 25' ' ' MET . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.6 mtmp? -70.39 110.29 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -98.53 12.44 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 53.63 37.41 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.65 -176.66 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.615 HG21 HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -162.94 112.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.04 36.01 2.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -136.91 -66.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -175.45 154.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.876 HD22 HG22 ' A' ' 30' ' ' ILE . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 ' HA3' ' A' ' 59' ' ' GLY . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.569 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.876 HG22 HD22 ' A' ' 8' ' ' LEU . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 46' ' ' VAL . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.553 HG21 ' HE2' ' A' ' 6' ' ' LYS . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 36' ' ' SER . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' LEU . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 33' ' ' LEU . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 31' ' ' LEU . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.699 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 23' ' ' VAL . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.633 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 62' ' ' PRO . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.727 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.4 ptmt -60.01 156.66 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 10' ' ' LEU . 4.6 mt -129.21 61.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.723 ' O ' HG22 ' A' ' 4' ' ' THR . 1.2 p30 -116.7 22.27 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 51.79 43.6 29.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 2' ' ' ASP . 2.8 t 179.71 110.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.74 25.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -64.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.21 63.04 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD22 HG22 ' A' ' 30' ' ' ILE . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 68' ' ' LYS . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.73 ' HB2' HD21 ' A' ' 69' ' ' LEU . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 8' ' ' LEU . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 30' ' ' ILE . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 33' ' ' LEU . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG21 HD23 ' A' ' 31' ' ' LEU . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 31' ' ' LEU . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' CG1' HG23 ' A' ' 23' ' ' VAL . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.664 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' PRO . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.76 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.3 ttpm? -62.83 148.94 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 10' ' ' LEU . 8.5 mt -114.98 55.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -97.98 40.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 4' ' ' THR . 5.2 pt-20 -114.8 104.65 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.7 OUTLIER -163.63 123.24 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 155.77 -19.08 0.5 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -49.45 -30.83 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -161.47 49.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.043 HD22 HG22 ' A' ' 30' ' ' ILE . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' HB2' HD21 ' A' ' 69' ' ' LEU . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 67' ' ' LYS . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.409 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.043 HG22 HD22 ' A' ' 8' ' ' LEU . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.693 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.526 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 33' ' ' LEU . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HD12 ' A' ' 31' ' ' LEU . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -56.31 159.88 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 10' ' ' LEU . 47.8 mt -123.53 60.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.31 40.15 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.85 43.65 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -176.49 128.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.2 -22.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -25.46 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER 179.56 105.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' ASP . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.606 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.471 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' LEU . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.692 ' C ' HD22 ' A' ' 31' ' ' LEU . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 31' ' ' LEU . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 62' ' ' PRO . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.6 mppt? -52.86 152.66 3.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.27 -6.34 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.14 38.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -136.61 149.83 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.765 ' HB ' HD12 ' A' ' 8' ' ' LEU . 3.9 t -179.35 128.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.69 -32.5 32.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 -60.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 4' ' ' THR . 11.9 tp10 -177.91 148.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.879 HD22 HG22 ' A' ' 30' ' ' ILE . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 11' ' ' ALA . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 31' ' ' LEU . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.879 HG22 HD22 ' A' ' 8' ' ' LEU . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 25' ' ' MET . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 66' ' ' VAL . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 62' ' ' PRO . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.0 ptpp? -75.8 141.93 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.9 mm? -95.93 26.55 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -111.88 31.22 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 4' ' ' THR . 6.6 pm0 -127.55 50.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -164.5 120.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.94 -15.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 -56.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 179.87 105.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 32' ' ' THR . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 29' ' ' ASP . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.828 ' HE3' HG11 ' A' ' 61' ' ' VAL . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 31' ' ' LEU . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.629 ' C ' HD22 ' A' ' 31' ' ' LEU . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.765 HG21 ' CE ' ' A' ' 25' ' ' MET . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 31' ' ' LEU . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 ' HE3' ' A' ' 25' ' ' MET . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 ptmm? -68.3 147.01 52.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -104.06 49.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 HG22 ' A' ' 30' ' ' ILE . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' ' 68' ' ' LYS . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 11' ' ' ALA . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 59' ' ' GLY . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.988 HG22 HD22 ' A' ' 8' ' ' LEU . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.697 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.458 ' N ' HD23 ' A' ' 8' ' ' LEU . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 34' ' ' LEU . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.697 HG12 HD12 ' A' ' 31' ' ' LEU . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG2' HD12 ' A' ' 34' ' ' LEU . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.632 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' PRO . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.9 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.057 HD22 HG22 ' A' ' 30' ' ' ILE . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.695 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 67' ' ' LYS . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.562 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.057 HG22 HD22 ' A' ' 8' ' ' LEU . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' HG21 ' A' ' 44' ' ' VAL . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 8' ' ' LEU . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' LEU . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 54' ' ' THR . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.609 ' CG1' HG23 ' A' ' 23' ' ' VAL . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 12' ' ' LEU . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 9' ' ' VAL . 4.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD22 HG22 ' A' ' 30' ' ' ILE . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 11' ' ' ALA . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.872 HG22 HD22 ' A' ' 8' ' ' LEU . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 46' ' ' VAL . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 33' ' ' LEU . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG22 HD23 ' A' ' 31' ' ' LEU . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 23' ' ' VAL . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 62' ' ' PRO . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.9 ptpp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.838 0.352 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.498 HD23 ' C ' ' A' ' 31' ' ' LEU . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 68' ' ' LYS . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 11' ' ' ALA . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.442 ' SD ' HG11 ' A' ' 66' ' ' VAL . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.717 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 31' ' ' LEU . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' HD22 ' A' ' 34' ' ' LEU . 32.0 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 62' ' ' PRO . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 11' ' ' ALA . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.592 ' C ' HD22 ' A' ' 31' ' ' LEU . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.874 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 45' ' ' GLU . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 33' ' ' LEU . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 34' ' ' LEU . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 31' ' ' LEU . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 54' ' ' THR . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 HG23 ' A' ' 23' ' ' VAL . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.7 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.907 HD22 HG22 ' A' ' 30' ' ' ILE . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 29' ' ' ASP . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.907 HG22 HD22 ' A' ' 8' ' ' LEU . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.604 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.437 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.413 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.5 mtpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.494 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.739 ' O ' HD23 ' A' ' 31' ' ' LEU . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' ILE . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.715 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 31' ' ' LEU . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.619 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.681 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 mtmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.009 HD22 HG22 ' A' ' 30' ' ' ILE . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.42 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.009 HG22 HD22 ' A' ' 8' ' ' LEU . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 8' ' ' LEU . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.505 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.603 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 HG23 ' A' ' 23' ' ' VAL . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' PRO . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' VAL . 8.0 ptpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 30' ' ' ILE . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 11' ' ' ALA . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 67' ' ' LYS . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 8' ' ' LEU . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.886 HD12 HG12 ' A' ' 46' ' ' VAL . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.501 ' HB3' HD21 ' A' ' 33' ' ' LEU . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HB2' HD11 ' A' ' 34' ' ' LEU . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.886 HG12 HD12 ' A' ' 31' ' ' LEU . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.419 ' HG2' HD12 ' A' ' 34' ' ' LEU . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.61 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 23' ' ' VAL . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' PRO . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 12' ' ' LEU . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HA ' HG12 ' A' ' 9' ' ' VAL . 29.7 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 30' ' ' ILE . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.425 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' ILE . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HB3' HD21 ' A' ' 33' ' ' LEU . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 31' ' ' LEU . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 34' ' ' LEU . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 31' ' ' LEU . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.538 ' HG2' HD12 ' A' ' 34' ' ' LEU . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PRO . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.4 tppp? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.708 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.568 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.5 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.686 ' C ' HD22 ' A' ' 31' ' ' LEU . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.911 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.771 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 33' ' ' LEU . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.911 HG12 HD12 ' A' ' 31' ' ' LEU . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 57' ' ' ARG . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' CD ' ' HB2' ' A' ' 48' ' ' ALA . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.561 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.422 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 11' ' ' ALA . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 ptpp? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 HD22 HG22 ' A' ' 30' ' ' ILE . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.671 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG22 HD22 ' A' ' 8' ' ' LEU . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.908 HD12 HG12 ' A' ' 46' ' ' VAL . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 33' ' ' LEU . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 HD12 ' A' ' 31' ' ' LEU . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 54' ' ' THR . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.442 HG22 ' OG1' ' A' ' 49' ' ' THR . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.671 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 23' ' ' VAL . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 9' ' ' VAL . 12.1 ptmt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.056 HD12 HG22 ' A' ' 30' ' ' ILE . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD12 ' H ' ' A' ' 11' ' ' ALA . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.532 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 46' ' ' VAL . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.433 ' SD ' HG11 ' A' ' 66' ' ' VAL . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.462 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.056 HG22 HD12 ' A' ' 8' ' ' LEU . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.887 HD12 HG12 ' A' ' 46' ' ' VAL . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.776 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 31' ' ' LEU . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.745 ' HB2' ' HD3' ' A' ' 57' ' ' ARG . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.669 ' CE1' ' HB3' ' A' ' 48' ' ' ALA . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HD3' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' SD ' ' A' ' 25' ' ' MET . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD12 HG22 ' A' ' 30' ' ' ILE . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD12 HG12 ' A' ' 30' ' ' ILE . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.854 ' HE3' HG11 ' A' ' 61' ' ' VAL . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 31' ' ' LEU . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.754 HG22 HD12 ' A' ' 8' ' ' LEU . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.679 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.667 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG21 ' CE ' ' A' ' 25' ' ' MET . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 46' ' ' VAL . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.854 HG11 ' HE3' ' A' ' 25' ' ' MET . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.6 mtmp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.876 HD22 HG22 ' A' ' 30' ' ' ILE . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 10' ' ' LEU . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 ' HA3' ' A' ' 59' ' ' GLY . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.569 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.876 HG22 HD22 ' A' ' 8' ' ' LEU . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 46' ' ' VAL . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' HD23 ' A' ' 8' ' ' LEU . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 36' ' ' SER . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' LEU . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 33' ' ' LEU . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 31' ' ' LEU . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.699 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 23' ' ' VAL . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.633 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 62' ' ' PRO . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.727 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.4 ptmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.033 HD22 HG22 ' A' ' 30' ' ' ILE . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 68' ' ' LYS . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 11' ' ' ALA . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 8' ' ' LEU . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 30' ' ' ILE . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 33' ' ' LEU . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.587 HG21 HD23 ' A' ' 31' ' ' LEU . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 31' ' ' LEU . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' CG1' HG23 ' A' ' 23' ' ' VAL . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.664 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' PRO . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.76 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.3 ttpm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.043 HD22 HG22 ' A' ' 30' ' ' ILE . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 11' ' ' ALA . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 67' ' ' LYS . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.409 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.043 HG22 HD22 ' A' ' 8' ' ' LEU . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.693 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.526 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 33' ' ' LEU . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HD12 ' A' ' 31' ' ' LEU . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' ASP . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.606 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.471 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' LEU . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.692 ' C ' HD22 ' A' ' 31' ' ' LEU . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 31' ' ' LEU . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 62' ' ' PRO . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.6 mppt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.354 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.879 HD22 HG22 ' A' ' 30' ' ' ILE . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 11' ' ' ALA . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 31' ' ' LEU . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.879 HG22 HD22 ' A' ' 8' ' ' LEU . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 25' ' ' MET . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 66' ' ' VAL . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 62' ' ' PRO . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.0 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 32' ' ' THR . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 29' ' ' ASP . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.828 ' HE3' HG11 ' A' ' 61' ' ' VAL . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 31' ' ' LEU . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.629 ' C ' HD22 ' A' ' 31' ' ' LEU . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.765 HG21 ' CE ' ' A' ' 25' ' ' MET . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 31' ' ' LEU . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 ' HE3' ' A' ' 25' ' ' MET . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 ptmm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.756 0.312 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.41 40.55 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -129.01 31.21 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.95 95.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.31 35.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.43 -64.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.717 0.294 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -155.84 151.27 26.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.988 HD22 HG22 ' A' ' 30' ' ' ILE . 4.4 mt -145.86 153.07 40.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' ' 68' ' ' LYS . 18.8 m -126.66 148.79 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.6 tt -95.03 138.25 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -93.02 114.96 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.78 -48.43 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -118.93 139.06 52.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.41 161.5 4.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -138.51 175.77 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.53 96.45 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -51.34 145.04 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 -27.35 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.17 160.57 33.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -16.52 37.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -100.41 26.27 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -136.9 164.79 27.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 59' ' ' GLY . 6.3 m -125.41 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -141.32 169.19 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -152.34 168.31 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -124.22 157.24 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 113.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.67 18.56 47.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -91.75 161.34 14.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.988 HG22 HD22 ' A' ' 8' ' ' LEU . 50.3 mt -126.68 128.79 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.697 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -122.6 136.86 54.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.959 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.458 ' N ' HD23 ' A' ' 8' ' ' LEU . 97.7 m -70.82 112.83 7.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -68.07 134.55 50.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.3 mt -116.98 -46.63 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.55 138.5 24.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 t -133.55 30.09 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -53.93 -28.51 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.51 175.7 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -121.97 -5.4 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.45 -34.7 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -133.29 145.91 50.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 42.8 m0 -123.52 147.74 46.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -93.75 113.04 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -121.52 161.31 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 34' ' ' LEU . 2.9 tt0 -111.93 116.09 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.697 HG12 HD12 ' A' ' 31' ' ' LEU . 32.9 m -98.47 171.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -116.59 151.42 36.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -150.54 143.73 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -109.28 126.44 53.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.88 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 57.2 28.05 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.98 23.04 78.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -132.55 149.03 52.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 119.17 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -133.51 155.39 49.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.2 150.81 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -132.92 156.93 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG2' HD12 ' A' ' 34' ' ' LEU . 4.7 mt-30 -94.02 146.87 23.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -161.59 176.45 38.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -116.27 144.45 44.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.2 m -136.69 153.13 75.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.632 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.82 114.92 3.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.96 -13.22 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.84 -21.18 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -104.42 -24.82 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 62' ' ' PRO . 26.9 m -115.72 148.53 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -138.31 132.3 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.9 ttmm -60.46 145.97 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -98.64 26.09 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 51.97 71.18 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -84.54 125.94 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -179.09 111.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.21 22.41 2.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -135.05 -49.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -179.53 167.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.057 HD22 HG22 ' A' ' 30' ' ' ILE . 6.9 mt -147.4 144.97 29.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.03 143.41 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.52 128.4 41.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.695 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -76.8 81.99 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 67' ' ' LYS . 38.3 mt -52.43 -46.31 66.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.15 155.42 37.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.94 158.63 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -142.32 172.34 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.5 95.87 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.84 147.11 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -22.98 8.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -120.68 160.65 43.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -22.45 32.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.36 -28.65 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -85.97 168.65 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.6 m -127.41 -178.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -140.03 169.15 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.562 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -154.37 160.56 41.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -116.54 156.93 26.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -55.92 109.77 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.61 13.3 35.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -89.87 163.6 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.336 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.057 HG22 HD22 ' A' ' 8' ' ' LEU . 25.7 mt -132.53 123.84 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' HG21 ' A' ' 44' ' ' VAL . 2.0 mt -119.9 134.01 55.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 6' ' ' LYS . 83.3 m -68.09 120.98 15.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.9 tm? -69.65 133.66 47.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.7 mm? -115.15 -46.8 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -141.71 128.72 20.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -125.95 33.85 4.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -61.8 -24.53 66.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -106.11 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -115.62 -26.07 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -78.9 -40.68 31.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -135.58 146.41 47.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 19.6 m0 -124.58 149.79 46.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 111.88 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' LEU . 34.3 m -119.16 153.19 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -105.22 115.47 30.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -91.96 159.45 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 47.0 mtpt -106.86 152.08 24.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -151.99 159.76 43.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 54' ' ' THR . 31.5 m -132.85 125.62 30.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.85 148.56 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 57.07 32.09 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.35 20.45 75.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -130.93 149.34 52.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' OG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -109.39 124.84 51.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 42.2 p90 -130.81 -170.98 2.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.54 151.59 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -130.52 141.53 50.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -93.94 129.6 40.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.69 -178.97 23.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -113.09 144.96 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.609 ' CG1' HG23 ' A' ' 23' ' ' VAL . 26.7 m -137.77 153.07 73.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.74 121.48 8.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.57 49.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.76 -23.08 52.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.86 -26.16 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.1 m -119.97 143.51 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB2' HD11 ' A' ' 12' ' ' LEU . 27.2 ttmt -125.21 127.97 47.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 9' ' ' VAL . 4.1 ptmm? -64.54 147.11 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -109.07 52.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -119.01 52.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 4' ' ' THR . 65.3 mm-40 -115.68 43.74 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 8' ' ' LEU . 3.0 p -156.05 117.82 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.66 -31.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -26.46 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 179.07 121.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD22 HG22 ' A' ' 30' ' ' ILE . 2.8 mt -138.45 153.71 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.2 m -128.01 147.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.67 ' CB ' HD21 ' A' ' 69' ' ' LEU . 21.3 tp -101.25 141.51 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -93.6 106.5 18.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.04 -52.43 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -108.58 -171.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -102.03 160.8 14.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.47 173.92 11.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.12 95.98 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.5 148.47 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 7.04 3.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.82 160.13 64.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.668 0.747 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.31 29.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.49 30.56 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -132.62 161.33 34.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.6 m -126.25 -178.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 t -142.18 169.27 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.48 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -127.79 158.54 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.56 11.69 22.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 m-20 -91.19 158.74 16.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.872 HG22 HD22 ' A' ' 8' ' ' LEU . 40.2 mt -135.17 131.02 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 46' ' ' VAL . 4.0 mp -132.38 145.41 51.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 4' ' ' THR . 0.3 OUTLIER -76.26 116.55 17.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.5 tm? -68.15 133.08 48.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -109.18 -50.59 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.78 119.42 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 p -118.54 34.4 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 t -62.82 -35.84 81.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -89.49 173.38 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -116.12 -25.74 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.93 -50.82 11.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -131.82 145.84 51.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 33' ' ' LEU . 29.2 m0 -122.0 156.36 33.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 113.96 25.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.57 149.97 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.25 123.42 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG22 HD23 ' A' ' 31' ' ' LEU . 3.6 t -95.58 159.44 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -113.62 140.24 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -144.0 159.83 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 m -133.9 131.24 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -155.84 141.56 17.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 55.53 35.43 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.57 22.8 73.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -129.94 142.87 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.7 124.73 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.2 p90 -130.16 148.99 52.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -115.44 141.59 47.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -123.07 135.69 54.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -94.12 130.96 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.97 178.86 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -112.49 141.35 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' HG23 ' A' ' 23' ' ' VAL . 13.0 m -132.96 154.42 81.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.8 115.36 4.06 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.93 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -21.63 47.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -107.39 -23.02 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 62' ' ' PRO . 13.7 m -117.6 140.11 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -128.81 148.83 50.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.9 ptpp? -65.5 160.86 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD21 ' CB ' ' A' ' 10' ' ' LEU . 7.6 mt -128.52 62.18 1.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.4 t0 60.98 48.41 6.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 4' ' ' THR . 5.6 mp0 -99.13 39.94 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.041 HG22 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -168.82 122.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.61 -11.23 2.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -40.52 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 177.57 137.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.041 HD11 HG22 ' A' ' 4' ' ' THR . 2.2 mt -141.34 153.39 45.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 68' ' ' LYS . 30.4 m -127.84 142.94 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 11' ' ' ALA . 4.8 tt -93.18 143.03 26.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -90.34 100.75 13.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.92 -47.89 78.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -123.83 136.41 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.62 163.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -137.53 170.71 15.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.19 91.95 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.54 146.55 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -21.75 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -122.46 160.81 46.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.687 0.756 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.34 18.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -69.67 -30.05 67.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 178.49 7.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -138.13 166.94 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -127.57 156.75 41.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.442 ' SD ' HG11 ' A' ' 66' ' ' VAL . 16.2 mtm -137.38 172.82 12.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -123.51 151.07 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.09 112.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.15 17.04 35.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -88.65 171.05 10.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.792 0.329 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -144.33 117.14 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.717 ' CD1' HG12 ' A' ' 46' ' ' VAL . 3.9 mm? -115.24 149.34 37.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' HA ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -78.59 143.65 36.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.8 tm? -88.81 134.86 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' LEU . 5.2 mp -119.38 -43.05 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.3 p -120.18 36.78 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -65.23 -23.45 67.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -105.05 173.2 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -115.48 -25.83 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -78.55 -48.7 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -127.94 140.28 52.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 43.4 m0 -115.78 144.33 44.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -90.12 109.37 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.0 161.3 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -105.25 116.31 31.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' CD1' ' A' ' 31' ' ' LEU . 17.0 m -105.96 171.21 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -119.19 150.66 39.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.66 164.31 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -131.9 132.34 43.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.67 147.12 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 54.7 29.19 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.44 22.81 78.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -135.2 138.68 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -100.41 127.43 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 15.3 p90 -127.66 179.58 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.92 150.25 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -150.83 144.15 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' HD22 ' A' ' 34' ' ' LEU . 32.0 mt-30 -94.0 142.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.22 176.77 31.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -108.81 143.01 38.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.31 152.24 77.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.72 . . . . 0.0 111.161 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.8 Cg_endo -69.74 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.88 -13.01 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.74 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -104.43 -24.89 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 62' ' ' PRO . 30.3 m -114.58 148.84 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -144.66 141.11 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -55.64 156.04 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 44.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -120.59 37.3 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -122.26 171.49 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' OG1' HG21 ' A' ' 32' ' ' THR . 4.7 t -178.76 118.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.58 12.74 2.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.09 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 177.99 104.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.2 mm? -114.55 151.04 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -127.77 151.87 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 11' ' ' ALA . 6.1 tt -100.98 142.27 32.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' N ' HD23 ' A' ' 10' ' ' LEU . . . -95.65 106.08 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.91 -48.45 45.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -109.98 177.46 4.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.96 163.86 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 2.3 t80 -141.0 179.42 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.52 91.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -51.28 143.56 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.02 10.01 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.66 61.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.737 . . . . 0.0 110.855 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.98 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -112.21 33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -132.92 161.15 35.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.9 m -125.49 -178.87 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -140.17 163.79 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.13 173.33 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -140.92 151.44 44.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.27 18.65 10.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.59 175.98 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.592 ' C ' HD22 ' A' ' 31' ' ' LEU . 45.0 mt -145.8 131.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.874 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -127.86 147.14 50.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.53 123.36 30.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -76.14 131.73 39.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 45' ' ' GLU . 47.8 mt -112.47 -39.76 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -144.41 125.29 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.2 p -121.32 29.26 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -55.13 -26.17 36.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -102.43 173.73 6.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -116.26 -25.95 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -80.58 -53.56 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 45.0 m95 -122.11 140.59 52.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -118.05 148.82 41.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -94.87 126.26 40.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 33' ' ' LEU . 29.6 m -133.06 167.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 34' ' ' LEU . 4.3 tm-20 -113.62 128.5 56.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 31' ' ' LEU . 17.4 m -116.74 172.01 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -109.79 151.3 27.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 158.93 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 54' ' ' THR . 3.5 m -142.05 120.14 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.93 135.05 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 56.5 24.86 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.01 -13.97 63.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.31 131.74 35.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -101.56 130.25 47.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -143.78 147.45 34.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -97.27 144.64 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -137.93 146.48 43.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -93.85 160.95 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -171.25 -179.58 42.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.96 151.01 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.436 HG12 HG23 ' A' ' 23' ' ' VAL . 27.9 m -143.55 152.29 56.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.14 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 114.03 3.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 0.0 112.37 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.04 -14.31 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.26 50.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -104.11 -25.01 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 m -114.25 148.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -146.92 140.13 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.7 ptpt -58.52 147.93 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 69' ' ' LEU . 4.1 mm? -77.53 -4.41 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -101.62 28.2 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 4' ' ' THR . 9.9 pt-20 -99.07 29.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -159.45 119.69 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.19 -30.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -29.53 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 179.7 126.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.907 HD22 HG22 ' A' ' 30' ' ' ILE . 3.1 mt -139.88 157.68 45.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -131.35 146.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 29' ' ' ASP . 29.9 tp -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.06 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.94 -48.84 56.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -120.88 133.4 55.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.91 164.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -140.76 170.35 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.69 96.78 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -51.43 148.43 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 -32.03 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -112.41 160.49 30.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -20.93 34.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -95.35 25.3 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -137.04 163.18 31.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.2 m -119.17 -178.85 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -142.64 165.95 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.99 173.22 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -121.63 158.55 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.22 26.54 13.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.3 t0 -92.49 179.02 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.907 HG22 HD22 ' A' ' 8' ' ' LEU . 51.9 mt -137.94 131.64 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.604 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.2 mm? -125.56 139.95 53.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -74.63 116.76 15.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.4 tm? -74.03 116.98 15.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -94.66 -38.04 11.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.7 131.38 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.8 p -124.79 37.43 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.8 p -57.95 -38.73 76.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.98 171.19 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -111.66 -26.89 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -78.23 -49.89 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -128.07 140.4 51.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 41.1 m0 -116.2 151.12 36.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -93.23 115.9 28.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.14 158.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -112.86 129.55 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -107.9 159.3 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -108.61 144.53 36.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.96 164.28 31.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.8 m -141.76 113.65 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.76 150.61 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 55.26 29.88 13.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.37 20.96 77.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -133.39 139.07 46.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.35 128.87 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -136.91 146.09 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.69 146.3 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.32 133.41 45.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -93.88 135.34 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.609 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.94 -174.84 17.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.34 145.25 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.366 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.2 m -138.99 153.04 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.658 0.742 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.7 3.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.413 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.48 -14.82 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.34 -22.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -103.48 -24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 m -114.1 142.16 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -135.31 126.46 28.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.674 ' HA ' HG12 ' A' ' 9' ' ' VAL . 42.5 mtpt -53.36 153.65 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -92.24 44.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tmm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 52.65 33.92 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 4' ' ' THR . 23.1 pt-20 -100.23 38.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -164.17 100.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.62 44.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.89 -46.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.88 89.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.5 mm? -95.51 146.42 24.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -116.92 148.44 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -101.78 138.74 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -90.13 93.67 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.58 -45.63 84.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.09 -175.78 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.58 164.49 11.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -143.98 177.68 8.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.56 92.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -50.56 144.77 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 -28.56 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -116.52 160.52 35.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.667 0.746 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.58 33.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -100.02 22.8 10.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -136.4 167.48 21.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.96 -178.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 t -141.49 169.01 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.494 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -153.96 173.1 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -134.92 157.86 45.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 99.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 15.65 10.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.84 170.38 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.739 ' O ' HD23 ' A' ' 31' ' ' LEU . 52.3 mt -140.37 133.27 33.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 30' ' ' ILE . 8.4 mt -134.19 141.7 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.715 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.92 138.46 42.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -85.08 133.74 34.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -116.51 -35.25 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.2 119.69 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.3 p -121.89 39.53 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 t -67.99 -23.67 65.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -105.64 169.65 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -111.89 -26.86 8.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -75.77 -48.9 19.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -131.9 139.75 48.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.8 m0 -114.75 152.91 31.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -94.11 114.14 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.33 158.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.68 112.1 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG12 HD22 ' A' ' 31' ' ' LEU . 20.0 m -99.72 167.58 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 151.99 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -142.22 146.57 35.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -116.62 115.36 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.75 143.33 38.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.12 56.15 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.73 36.73 19.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -139.37 135.91 34.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.1 p -104.36 119.32 38.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 33.4 p90 -129.75 139.59 51.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -105.81 147.8 28.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -138.82 147.8 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -98.38 138.48 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.619 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -151.01 -178.46 25.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.75 149.57 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.0 m -141.69 153.76 65.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 Cg_endo -69.68 116.58 4.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.66 -14.67 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.93 -23.81 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -104.45 -23.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.1 m -117.64 138.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.0 tttm -125.78 148.07 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.681 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 mtmm -80.07 148.54 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -110.36 53.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.2 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -103.55 44.56 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 4' ' ' THR . 16.1 pt-20 -122.39 59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -166.79 91.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.94 30.18 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.23 -18.4 8.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.755 0.312 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 178.1 120.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.009 HD22 HG22 ' A' ' 30' ' ' ILE . 5.6 mt -135.75 146.71 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.5 m -118.25 146.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -95.34 139.09 32.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.33 102.36 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.47 -31.24 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -128.82 -179.33 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -143.68 175.2 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.26 96.06 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -51.41 145.3 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 -7.26 9.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.44 160.63 67.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.82 37.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.83 24.49 9.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -136.16 156.33 48.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.8 m -115.15 -179.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 t -147.11 169.09 20.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.42 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -162.35 173.12 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -133.88 162.9 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.46 109.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.92 12.69 29.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.07 140.25 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.009 HG22 HD22 ' A' ' 8' ' ' LEU . 23.1 mt -114.15 134.83 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 8' ' ' LEU . 2.8 mm? -129.38 133.42 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.505 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -67.71 117.17 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -69.54 132.31 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -112.7 -37.34 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.1 t30 -143.69 139.83 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -135.99 25.69 3.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -56.29 -32.66 64.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -97.88 173.18 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -115.82 -26.64 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -77.71 -51.48 10.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.6 m95 -128.73 141.86 51.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -117.42 157.1 26.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.76 113.01 24.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.0 m -117.54 159.2 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -110.93 135.78 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG23 HG11 ' A' ' 23' ' ' VAL . 3.8 t -114.72 159.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.8 mmtp -106.72 145.6 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.3 160.78 40.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -137.49 125.76 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.9 149.54 21.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.17 33.21 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 21.82 72.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -134.59 159.17 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.4 130.54 56.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -135.7 150.73 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -111.38 143.06 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -126.69 134.45 50.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -93.99 134.34 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.603 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.32 -177.34 20.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -113.21 144.91 41.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 HG23 ' A' ' 23' ' ' VAL . 16.6 m -138.32 153.92 73.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.189 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.76 115.27 4.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -62.51 -14.97 47.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.51 -23.38 53.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -105.73 -17.17 14.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' PRO . 11.0 m -125.77 138.89 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.71 139.76 52.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' VAL . 8.0 ptpt -71.53 147.73 47.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.43 23.33 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 51.97 36.65 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 4' ' ' THR . 36.4 mm-40 -87.21 85.18 7.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -164.38 102.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.75 38.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -45.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.719 0.295 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -178.87 97.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.965 HD22 HG22 ' A' ' 30' ' ' ILE . 5.2 mt -94.82 144.83 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.697 HG12 ' HA ' ' A' ' 68' ' ' LYS . 17.0 m -112.96 146.95 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 11' ' ' ALA . 22.0 tp -96.49 142.97 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -91.79 109.86 21.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' A' ' 67' ' ' LYS . 16.6 mt -78.18 -45.69 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -119.06 -176.48 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.33 156.24 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.97 172.69 12.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 98.92 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 150.47 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 7.27 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.12 160.3 63.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -19.96 35.55 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -109.41 34.76 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -138.92 150.22 45.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.9 m -113.59 -178.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 t -148.0 160.93 42.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -156.57 167.93 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -126.85 161.74 27.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.28 127.92 23.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -1.2 72.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.27 167.26 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.965 HG22 HD22 ' A' ' 8' ' ' LEU . 29.4 mt -139.08 133.3 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.886 HD12 HG12 ' A' ' 46' ' ' VAL . 2.9 mm? -128.62 145.36 51.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.6 m -79.25 114.37 18.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.2 tm? -69.02 134.61 49.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.6 mt -116.67 -47.33 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -133.6 124.01 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.2 p -124.7 23.94 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.6 t -56.05 -33.76 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.6 172.01 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.9 -22.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.67 -51.3 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -132.4 143.76 50.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.501 ' HB3' HD21 ' A' ' 33' ' ' LEU . 28.2 m0 -120.55 160.63 22.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -99.08 129.37 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.06 160.79 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HB2' HD11 ' A' ' 34' ' ' LEU . 5.7 tt0 -112.76 116.64 30.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG12 HD12 ' A' ' 31' ' ' LEU . 18.8 m -110.42 162.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.96 133.38 49.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.51 143.46 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 85.9 m -107.22 123.63 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.92 143.02 22.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 56.73 26.1 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.67 21.34 78.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -136.33 137.88 41.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 p -99.02 134.56 41.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -139.05 165.05 28.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -98.48 144.62 27.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -138.05 146.88 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' HG2' HD12 ' A' ' 34' ' ' LEU . 5.7 mt-30 -93.89 142.69 27.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.61 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -159.94 173.2 36.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -110.27 152.16 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 23' ' ' VAL . 21.6 m -143.96 153.32 57.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 111.105 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.2 Cg_endo -69.82 115.37 4.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.77 -13.62 45.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.46 -20.81 46.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -107.0 -24.36 12.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' PRO . 10.3 m -114.71 140.71 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.153 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' ' 12' ' ' LEU . 18.2 ptmt -129.41 144.76 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HA ' HG12 ' A' ' 9' ' ' VAL . 29.7 mtmt -77.62 140.82 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 10' ' ' LEU . 10.8 mp -91.74 44.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.08 47.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 4' ' ' THR . 3.3 tt0 -58.8 119.79 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.74 ' HB ' HD11 ' A' ' 8' ' ' LEU . 3.7 p -155.89 118.04 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.21 -31.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -25.59 25.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.04 124.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD11 ' HB ' ' A' ' 4' ' ' THR . 3.7 mt -143.08 151.97 41.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 31.5 m -128.88 144.49 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' A' ' 69' ' ' LEU . 15.2 tp -95.62 142.37 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.2 118.92 31.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -85.68 -44.23 12.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.93 151.32 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -67.71 157.39 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -135.38 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 94.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.68 150.53 5.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 6.91 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.24 160.06 63.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.699 0.762 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -26.21 27.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.56 26.64 5.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -132.33 161.65 33.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.7 m -127.73 -178.87 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -140.59 169.16 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.425 ' HE3' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -152.3 165.27 35.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -115.99 152.84 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 102.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.41 17.93 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -91.87 173.55 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 51.5 mt -141.02 134.35 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' ILE . 6.5 mt -133.11 143.74 49.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -74.49 117.46 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 34' ' ' LEU . 2.3 tm? -70.86 134.69 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.682 ' N ' HD13 ' A' ' 33' ' ' LEU . 56.2 mt -115.06 -51.02 2.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.84 127.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 p -128.46 36.29 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -61.41 -33.04 73.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.88 176.36 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -122.25 -5.16 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -108.35 -32.32 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -143.87 135.71 26.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HB3' HD21 ' A' ' 33' ' ' LEU . 15.7 m0 -120.67 167.62 12.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -105.21 132.16 51.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 31' ' ' LEU . 26.8 m -133.11 159.0 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' A' ' 34' ' ' LEU . 9.5 tt0 -110.06 112.75 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG12 HD22 ' A' ' 31' ' ' LEU . 35.7 m -97.67 148.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -93.92 145.67 24.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.87 162.31 34.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 m -139.81 118.8 12.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.75 145.72 28.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 56.14 27.3 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.43 19.93 79.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.86 139.98 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -99.63 127.51 45.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -143.68 139.12 29.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -97.17 152.6 18.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.61 154.14 51.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.538 ' HG2' HD12 ' A' ' 34' ' ' LEU . 3.3 mt-30 -93.65 144.92 24.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -160.35 169.92 36.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -107.78 149.83 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.0 m -142.21 152.85 62.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.5 Cg_endo -69.74 115.87 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.59 -12.71 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.87 -20.28 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -107.19 -24.48 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 62' ' ' PRO . 16.3 m -116.42 146.24 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -142.93 139.67 30.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.4 tppp? -55.33 118.51 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -102.9 14.29 32.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -101.55 38.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 4' ' ' THR . 5.5 mm-40 -79.84 101.96 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -171.68 106.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.05 40.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -53.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -155.89 58.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.3 mm? -78.49 141.57 38.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -115.63 149.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.2 tp -97.62 135.51 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.708 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -81.46 81.51 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt -51.34 -44.22 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.21 145.6 50.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.08 161.23 19.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -141.11 172.45 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.99 100.0 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.53 146.16 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 -25.94 6.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.4 160.29 56.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.699 0.761 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -17.12 37.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 22.27 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.27 171.1 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -126.71 -178.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -139.79 167.32 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.568 ' CE ' HG13 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -141.39 171.17 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -127.4 153.7 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 105.46 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.79 21.95 24.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 7.3 t0 -92.26 175.6 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.686 ' C ' HD22 ' A' ' 31' ' ' LEU . 58.0 mt -139.21 132.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.911 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -132.06 136.74 47.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.771 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.17 125.5 29.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 tm? -78.1 120.51 23.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.17 -34.04 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -154.85 132.56 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -123.75 37.63 4.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.4 p -58.73 -24.84 62.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -110.6 171.64 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -112.21 -27.85 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.03 -46.42 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -127.38 141.09 51.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 28.2 m0 -119.41 142.52 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 108.33 19.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 33' ' ' LEU . 34.2 m -114.46 162.27 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -110.28 116.71 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.911 HG12 HD12 ' A' ' 31' ' ' LEU . 10.6 m -110.89 172.2 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.22 136.33 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB2' ' CD ' ' A' ' 57' ' ' ARG . . . -123.7 136.25 54.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -110.0 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.81 134.94 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 57.22 23.84 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.46 -8.82 73.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 140.54 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -124.29 137.77 54.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.48 131.45 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' CD ' ' HB2' ' A' ' 48' ' ' ALA . 12.8 ptm180 -127.35 140.31 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -97.82 133.78 41.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.561 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.96 179.39 22.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.98 146.03 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 23' ' ' VAL . 27.3 m -139.13 149.51 61.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.7 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.03 -13.14 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.08 -21.21 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.422 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 9.3 m-85 -102.32 -26.45 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 11' ' ' ALA . 5.4 m -119.43 150.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -135.36 143.11 45.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.762 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.9 ptpp? -69.77 143.57 52.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 68' ' ' LYS . 8.8 mp -118.2 57.4 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 55.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 4' ' ' THR . 1.9 pm0 -113.92 56.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -175.73 125.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.32 -20.33 1.07 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 -65.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.318 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.0 162.32 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 HD22 HG22 ' A' ' 30' ' ' ILE . 3.8 mt -144.95 148.15 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.5 m -120.87 146.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.0 tt -93.2 132.74 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -89.06 121.47 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -94.57 -37.87 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.74 135.67 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.84 164.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -147.83 156.13 42.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 105.62 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.24 148.34 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 -4.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.07 160.76 61.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.41 37.41 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -104.35 28.95 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.44 -172.52 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.671 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.2 m -141.55 177.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.12 142.5 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -140.14 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -132.52 160.02 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -51.25 110.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.45 14.62 32.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.51 148.75 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG22 HD22 ' A' ' 8' ' ' LEU . 51.6 mt -114.82 133.4 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.908 HD12 HG12 ' A' ' 46' ' ' VAL . 2.7 mm? -123.41 131.2 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.1 m -67.78 113.07 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.601 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.4 tm? -73.58 119.48 17.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -95.3 -43.35 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.71 129.96 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.6 p -125.46 39.76 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -66.15 -29.74 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -95.45 173.99 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -116.42 -26.8 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.48 -53.8 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -126.3 139.76 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.2 m0 -115.52 151.39 34.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -92.5 121.52 34.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 33' ' ' LEU . 19.5 m -134.62 155.43 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -111.16 124.25 51.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 HD12 ' A' ' 31' ' ' LEU . 34.3 m -99.37 169.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -116.97 140.31 49.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.22 165.02 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 54' ' ' THR . 15.2 m -143.14 112.18 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.46 152.1 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 54.46 27.85 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.97 26.49 72.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -137.73 136.19 37.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.442 HG22 ' OG1' ' A' ' 49' ' ' THR . 1.2 p -94.74 123.92 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -137.25 142.08 42.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -110.8 148.44 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 ptt-85 -131.03 148.64 52.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.67 137.98 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.671 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -153.97 -174.0 23.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.92 148.92 39.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 23' ' ' VAL . 16.8 m -137.26 153.47 74.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.158 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 Cg_endo -69.75 115.15 3.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.422 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.56 -13.71 44.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.11 -21.83 46.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -107.35 -22.93 12.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 62' ' ' PRO . 29.8 m -118.36 139.16 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -122.99 136.22 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 9' ' ' VAL . 12.1 ptmt -60.71 156.25 17.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 10' ' ' LEU . 4.6 mt -129.11 62.47 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.967 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H2 ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 mpt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.0 54.26 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -169.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -175.82 127.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.64 -28.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.719 0.295 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -166.92 92.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.056 HD12 HG22 ' A' ' 30' ' ' ILE . 1.5 mm? -97.04 149.99 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.0 m -119.72 150.93 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.766 ' HB2' HD21 ' A' ' 69' ' ' LEU . 17.3 tp -98.26 141.83 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.532 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -95.67 122.03 37.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.2 -48.84 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -121.44 146.97 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.21 161.97 18.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -135.6 176.8 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.73 94.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.96 144.11 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.49 -9.45 9.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -135.82 159.69 70.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -18.95 37.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -93.67 17.84 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.84 178.68 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 46' ' ' VAL . 3.4 m -139.61 175.04 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -131.81 158.98 39.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.433 ' SD ' HG11 ' A' ' 66' ' ' VAL . 27.2 mtm -140.17 173.13 11.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -126.32 147.78 49.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 108.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.52 19.1 23.86 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 16.1 t0 -95.97 162.45 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.056 HG22 HD12 ' A' ' 8' ' ' LEU . 54.2 mt -121.8 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.887 HD12 HG12 ' A' ' 46' ' ' VAL . 2.3 mm? -124.01 144.72 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.776 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.26 125.7 31.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -74.38 133.74 42.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.1 mm? -120.33 -32.05 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.57 130.02 14.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.2 p -127.01 25.57 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 t -58.09 -23.99 56.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -111.35 170.28 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -115.19 -24.24 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.39 -44.61 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -134.73 139.77 45.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 29.7 m0 -115.46 145.16 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -91.36 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.16 160.37 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -108.59 112.72 25.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 31' ' ' LEU . 33.4 m -110.17 171.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' H2 ' ' A' ' 1' ' ' MET . 6.4 mtpp -99.79 151.82 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.745 ' HB2' ' HD3' ' A' ' 57' ' ' ARG . . . -137.95 154.85 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -130.75 113.3 13.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.0 150.65 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 54.78 30.43 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.84 20.68 76.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -131.16 146.63 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -107.35 140.87 39.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.669 ' CE1' ' HB3' ' A' ' 48' ' ' ALA . 28.3 p90 -151.24 178.72 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.59 142.32 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.745 ' HD3' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -141.97 148.87 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.8 135.96 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -144.26 178.65 22.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -107.15 143.37 35.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.388 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.4 152.28 72.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.72 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 113.91 3.52 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.52 -13.5 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.63 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.8 m-30 -102.04 -25.09 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' SD ' ' A' ' 25' ' ' MET . 17.5 m -113.95 145.42 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -135.28 136.07 41.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.72 ' HA ' HG12 ' A' ' 9' ' ' VAL . 1.4 ttpm? -52.2 154.55 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 10' ' ' LEU . 8.2 mt -117.01 57.24 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -129.51 47.53 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' HG23 ' A' ' 4' ' ' THR . 56.0 mm-40 -115.18 56.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -163.75 110.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.92 -18.38 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -60.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -176.13 102.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD12 HG22 ' A' ' 30' ' ' ILE . 1.6 mm? -103.35 154.06 19.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 68' ' ' LYS . 15.9 m -130.03 143.32 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.756 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.8 tp -100.15 147.44 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.26 100.04 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.29 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -122.95 146.65 47.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -61.18 162.25 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.12 175.0 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.32 93.73 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -51.87 144.96 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -23.48 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -120.93 160.49 44.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -16.52 37.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -86.51 -28.23 23.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -86.29 167.95 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.6 m -124.65 -179.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 t -142.38 163.14 33.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.854 ' HE3' HG11 ' A' ' 61' ' ' VAL . 15.1 mtt -145.81 161.36 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -111.16 158.67 18.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 106.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.37 22.83 21.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' OD2' HD21 ' A' ' 31' ' ' LEU . 39.4 t0 -86.51 165.53 16.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.754 HG22 HD12 ' A' ' 8' ' ' LEU . 61.7 mt -140.15 131.83 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.1 mm? -134.03 149.88 51.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.735 HG23 HD21 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.75 132.43 35.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.4 tm? -76.25 134.06 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.667 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 mm? -111.89 -47.18 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.18 113.15 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 p -111.25 33.3 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 t -63.79 -25.61 68.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -96.99 172.04 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -25.8 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.3 -56.93 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -123.04 139.07 54.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 46.1 m0 -112.32 147.22 36.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 112.96 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG21 ' CE ' ' A' ' 25' ' ' MET . 28.7 m -120.82 154.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -106.61 122.29 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.9 t -101.01 159.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 46' ' ' VAL . 22.7 mtpt -112.93 151.64 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -156.6 168.28 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 m -133.14 141.07 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -162.73 139.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 56.14 30.76 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 19.53 79.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -130.73 137.21 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.35 127.46 38.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 25.3 p90 -130.28 154.58 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.67 138.77 51.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -122.56 133.27 54.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -94.56 137.29 33.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.84 -176.25 26.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -110.26 148.01 32.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.854 HG11 ' HE3' ' A' ' 25' ' ' MET . 15.3 m -139.36 154.24 71.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.14 3.61 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.09 -14.15 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.03 -21.96 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -105.99 -23.17 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.38 143.3 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -137.3 146.85 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 9' ' ' VAL . 6.6 mtmp? -70.39 110.29 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -98.53 12.44 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.326 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 53.63 37.41 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.65 -176.66 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.615 HG21 HD11 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -162.94 112.25 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.04 36.01 2.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -136.91 -66.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -175.45 154.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.876 HD22 HG22 ' A' ' 30' ' ' ILE . 3.4 mt -142.68 151.55 41.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.8 m -120.32 144.04 30.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.728 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.2 tt -92.38 130.76 37.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' HA ' HG12 ' A' ' 66' ' ' VAL . . . -88.81 122.31 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.35 -37.67 11.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -129.88 133.18 46.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -54.18 148.24 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -127.81 163.41 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -136.79 104.51 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.33 151.59 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 7.51 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.2 161.13 59.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.653 0.739 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -14.92 36.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -119.57 43.09 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.63 -172.25 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 ' HA3' ' A' ' 59' ' ' GLY . 2.9 m -141.29 174.16 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 140.46 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.569 ' HB3' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -137.01 172.67 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -120.87 156.82 31.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 104.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.83 18.55 15.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.77 175.22 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.876 HG22 HD22 ' A' ' 8' ' ' LEU . 40.3 mt -136.02 133.07 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 46' ' ' VAL . 1.9 mm? -123.89 134.63 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.553 HG21 ' HE2' ' A' ' 6' ' ' LYS . 24.0 m -69.39 110.82 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 36' ' ' SER . 2.6 tm? -67.06 121.2 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.45 -38.63 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.78 121.28 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 33' ' ' LEU . 50.7 p -124.85 44.31 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 t -73.54 -25.47 60.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.27 174.68 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -116.46 -26.13 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.89 -53.24 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -129.31 141.28 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 35.8 m0 -114.48 147.97 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -90.09 114.94 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 33' ' ' LEU . 20.3 m -130.73 158.47 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -111.04 134.64 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 31' ' ' LEU . 18.5 m -115.31 171.13 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -119.84 147.08 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -139.16 148.77 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 m -126.45 115.65 19.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.41 153.49 36.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 55.24 28.68 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 19.64 77.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.92 155.42 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.12 123.91 50.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 34.8 p90 -130.47 144.06 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.05 152.71 25.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -144.24 149.76 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -102.07 139.68 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.699 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -154.25 -171.41 21.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -114.32 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 23' ' ' VAL . 15.6 m -133.61 153.83 80.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.633 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.418 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.7 -13.44 43.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 -21.25 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -108.16 -23.21 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 62' ' ' PRO . 21.7 m -117.39 138.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -123.29 135.82 54.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.727 ' HA ' HG12 ' A' ' 9' ' ' VAL . 15.4 ptmt -60.01 156.66 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 10' ' ' LEU . 4.6 mt -129.21 61.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.723 ' O ' HG22 ' A' ' 4' ' ' THR . 1.2 p30 -116.7 22.27 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 51.79 43.6 29.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 2' ' ' ASP . 2.8 t 179.71 110.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.74 25.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -64.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.21 63.04 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD22 HG22 ' A' ' 30' ' ' ILE . 8.8 mt -74.76 142.82 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.76 HG12 ' HA ' ' A' ' 68' ' ' LYS . 13.5 m -115.98 144.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.73 ' HB2' HD21 ' A' ' 69' ' ' LEU . 17.1 tp -93.22 140.89 29.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -85.44 106.13 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.34 -43.71 66.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.3 -175.46 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -100.23 153.77 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -137.43 174.3 10.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -151.98 95.31 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.1 148.22 4.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -4.56 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 159.92 64.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -14.8 36.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.258 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -89.17 -30.2 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.08 161.99 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.584 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -119.4 -178.89 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 t -146.77 169.07 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -164.58 168.63 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 159.45 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.04 124.18 12.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.15 -5.59 61.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 8' ' ' LEU . 44.2 mt -134.95 125.14 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 30' ' ' ILE . 8.1 mp -125.36 139.12 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 8' ' ' LEU . 2.0 m -74.98 122.83 24.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.2 tm? -73.7 133.31 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 4.0 mm? -106.29 -49.74 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.2 117.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 p -119.92 44.21 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.5 t -72.22 -27.17 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -81.61 164.84 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 22.38 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.6 -57.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -118.24 133.76 55.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.621 ' HB3' HD21 ' A' ' 33' ' ' LEU . 11.1 m0 -114.34 155.69 25.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -97.63 116.65 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.587 HG21 HD23 ' A' ' 31' ' ' LEU . 34.3 m -117.94 161.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -110.42 119.0 37.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG12 ' CD2' ' A' ' 31' ' ' LEU . 33.6 m -102.89 160.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -103.06 142.17 34.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.31 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.6 m -131.71 110.6 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.85 145.93 40.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 54.94 38.61 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.51 19.08 62.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.8 149.09 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.88 126.12 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -135.85 140.01 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -100.1 136.67 39.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -122.53 147.02 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -96.06 134.27 39.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -147.8 177.85 25.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -112.62 143.57 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' CG1' HG23 ' A' ' 23' ' ' VAL . 18.9 m -138.04 150.24 66.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.664 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.3 Cg_endo -69.82 126.04 12.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 -14.69 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -25.94 52.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -105.74 -4.27 21.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 62' ' ' PRO . 22.7 m -142.0 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -130.53 145.6 51.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.76 ' HA ' HG12 ' A' ' 9' ' ' VAL . 5.3 ttpm? -62.83 148.94 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 10' ' ' LEU . 8.5 mt -114.98 55.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 p30 -97.98 40.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 4' ' ' THR . 5.2 pt-20 -114.8 104.65 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.7 OUTLIER -163.63 123.24 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 155.77 -19.08 0.5 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -49.45 -30.83 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -161.47 49.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.043 HD22 HG22 ' A' ' 30' ' ' ILE . 6.5 mt -75.17 147.84 40.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.751 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.9 m -125.63 150.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' HB2' HD21 ' A' ' 69' ' ' LEU . 15.1 tp -98.47 140.74 32.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -92.71 100.77 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 67' ' ' LYS . 23.5 mt -62.13 -52.74 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -116.0 152.37 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.85 163.72 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.409 ' HH ' ' HZ3' ' A' ' 41' ' ' TRP . 5.7 t80 -138.95 173.22 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -150.59 99.36 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -50.96 149.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -34.05 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.07 160.98 29.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.59 36.24 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -101.67 31.03 3.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -143.16 168.76 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HA3' ' A' ' 59' ' ' GLY . 5.0 m -125.6 -178.83 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 t -141.12 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.97 172.57 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -126.79 156.13 41.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 101.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.74 23.24 11.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.0 t0 -91.05 174.16 7.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.043 HG22 HD22 ' A' ' 8' ' ' LEU . 36.5 mt -140.7 130.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.693 HD12 HG12 ' A' ' 46' ' ' VAL . 3.4 mm? -131.45 138.33 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.2 m -76.82 120.46 22.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.526 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.2 tm? -70.27 131.36 44.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.17 -39.77 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -150.46 133.73 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -132.66 33.31 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.6 t -58.4 -22.05 52.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.34 177.52 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.64 16.98 7.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -138.49 -42.54 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HZ3' ' HH ' ' A' ' 15' ' ' TYR . 81.1 m95 -123.75 127.92 48.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -105.97 147.57 28.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -98.54 114.27 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 33' ' ' LEU . 17.5 m -115.77 162.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -109.23 113.38 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 HD12 ' A' ' 31' ' ' LEU . 18.1 m -102.02 171.98 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -117.47 148.87 41.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 55' ' ' TYR . . . -140.83 162.81 34.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -136.0 111.0 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.47 151.06 47.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 55.23 31.82 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 20.66 74.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -132.73 144.43 50.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -102.01 126.81 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 p90 -131.02 170.14 14.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -115.46 147.31 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -146.21 138.15 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -94.62 136.8 34.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -140.34 177.88 20.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -105.59 148.5 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.67 152.13 44.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.4 3.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.63 -14.56 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 -22.97 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -102.37 -25.26 13.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 m -111.77 139.56 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.9 pttp -131.73 146.28 52.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.751 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -56.31 159.88 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HB2' ' A' ' 10' ' ' LEU . 47.8 mt -123.53 60.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.31 40.15 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -117.85 43.65 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -176.49 128.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.2 -22.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -25.46 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' C ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER 179.56 105.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm? -118.89 151.37 38.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 68' ' ' LYS . 14.2 m -127.59 153.37 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' ASP . 48.4 tp -102.93 143.46 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -95.22 105.6 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.3 -54.77 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -114.43 133.83 55.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -51.71 167.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -144.22 170.24 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.0 96.04 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.34 150.17 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.29 -2.49 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -139.06 160.57 62.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.694 0.759 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -24.11 29.86 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -26.08 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.97 160.02 19.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.606 HG13 ' HA3' ' A' ' 59' ' ' GLY . 4.0 m -118.09 -179.82 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -144.96 169.12 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.471 ' SD ' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -159.46 170.05 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -122.01 163.84 18.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 118.53 4.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.9 13.0 61.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' LEU . 36.9 t0 -82.84 163.08 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.692 ' C ' HD22 ' A' ' 31' ' ' LEU . 62.3 mt -128.24 132.94 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 46' ' ' VAL . 3.3 mm? -132.56 138.81 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.793 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -81.87 124.85 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -74.53 132.69 42.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' ' 33' ' ' LEU . 3.9 mm? -111.84 -38.12 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.76 127.13 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.1 p -121.43 39.39 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 t -66.01 -24.06 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -107.16 169.83 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -111.95 -26.83 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.43 -55.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -125.32 138.96 54.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 40.0 m0 -111.45 151.79 28.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -95.14 109.95 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.1 m -116.98 160.35 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -110.32 125.89 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 31' ' ' LEU . 18.0 m -111.54 171.74 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -115.97 151.96 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.91 140.54 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.0 m -126.53 122.69 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.57 151.67 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 p30 42.85 49.93 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.15 40.59 44.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -139.55 139.07 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.35 119.77 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -139.67 147.02 40.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -110.19 145.04 37.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.93 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -96.45 136.64 36.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.606 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -145.57 -177.81 20.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -113.6 138.17 50.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' CG1' HG23 ' A' ' 23' ' ' VAL . 17.1 m -129.88 153.59 80.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.0 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.27 -14.0 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.03 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -105.46 -23.86 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 62' ' ' PRO . 14.3 m -116.52 143.29 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -144.4 141.38 29.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.66 ' HA ' HG12 ' A' ' 9' ' ' VAL . 2.6 mppt? -52.86 152.66 3.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.27 -6.34 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.14 38.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -136.61 149.83 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.765 ' HB ' HD12 ' A' ' 8' ' ' LEU . 3.9 t -179.35 128.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.69 -32.5 32.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 -60.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 4' ' ' THR . 11.9 tp10 -177.91 148.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.879 HD22 HG22 ' A' ' 30' ' ' ILE . 7.8 mt -136.82 142.51 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.648 HG12 ' HA ' ' A' ' 68' ' ' LYS . 16.0 m -118.0 146.11 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD12 ' H ' ' A' ' 11' ' ' ALA . 28.3 tp -97.03 143.43 27.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -90.95 98.48 11.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -132.23 -178.44 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -97.87 166.32 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.885 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -142.1 172.67 12.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.05 95.41 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -50.33 139.26 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.41 -24.76 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.76 160.04 53.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.706 0.765 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.27 37.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -93.11 19.26 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 178.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' HA3' ' A' ' 59' ' ' GLY . 3.5 m -140.08 166.69 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.12 144.94 50.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 31' ' ' LEU . 33.6 mmm -132.52 173.31 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -131.47 143.57 50.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 108.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.29 5.23 19.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 t70 -97.06 158.17 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.332 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.879 HG22 HD22 ' A' ' 8' ' ' LEU . 34.5 mt -127.02 133.77 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 25' ' ' MET . 1.7 mm? -127.94 148.05 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.2 m -81.96 119.82 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 1.6 tm? -63.28 134.34 55.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 mm? -116.56 -44.87 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -147.75 119.95 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.5 p -118.62 31.75 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -55.22 -30.99 61.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.82 175.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -116.23 -25.67 7.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -81.51 -46.73 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -130.28 144.81 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 16.9 m0 -123.93 156.58 36.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -96.34 109.76 22.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -117.42 150.0 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 122.85 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.9 m -111.47 152.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -103.59 151.98 22.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.0 156.79 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.8 m -131.72 116.03 16.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.5 147.03 30.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 52.38 39.28 27.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.4 25.13 64.57 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -127.22 146.7 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.19 119.0 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -143.18 142.74 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.72 155.41 24.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -138.09 156.56 47.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -95.07 131.49 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -143.62 175.14 23.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -106.49 142.45 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.514 HG23 HG21 ' A' ' 66' ' ' VAL . 22.7 m -137.2 151.19 71.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.693 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.1 Cg_endo -69.76 123.56 10.22 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.0 -14.07 43.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.24 -24.19 47.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -107.52 -6.66 16.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 62' ' ' PRO . 25.8 m -138.38 133.88 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -129.13 139.24 52.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG12 ' A' ' 9' ' ' VAL . 10.0 ptpp? -75.8 141.93 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.9 mm? -95.93 26.55 4.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -111.88 31.22 6.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 4' ' ' THR . 6.6 pm0 -127.55 50.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.555 HG22 ' HG ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -164.5 120.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.94 -15.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 -56.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 179.87 105.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.73 HD21 HG23 ' A' ' 32' ' ' THR . 2.1 mm? -106.55 140.98 38.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 68' ' ' LYS . 10.5 m -116.8 149.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 29' ' ' ASP . 4.3 tp -107.08 140.07 40.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.04 86.68 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 mt -51.24 -45.69 62.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.54 148.84 47.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.91 160.4 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -142.7 171.87 13.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.2 91.67 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -55.61 155.8 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.66 4.17 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 159.86 64.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.86 17.96 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -27.14 56.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -86.84 162.28 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.3 m -125.53 172.85 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -136.21 161.61 35.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.828 ' HE3' HG11 ' A' ' 61' ' ' VAL . 17.0 mtt -146.24 173.45 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -124.5 162.09 24.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 101.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.76 14.7 14.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' OD2' HD21 ' A' ' 31' ' ' LEU . 37.0 t0 -84.23 167.29 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.629 ' C ' HD22 ' A' ' 31' ' ' LEU . 53.0 mt -144.36 128.31 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD22 ' C ' ' A' ' 30' ' ' ILE . 3.0 mm? -132.27 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.73 HG23 HD21 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.26 137.29 38.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.3 tm? -82.89 133.98 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' H ' HD22 ' A' ' 33' ' ' LEU . 4.6 mm? -116.63 -35.28 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.41 126.86 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.6 p -128.47 32.91 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -24.44 67.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.78 171.04 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -25.75 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -78.42 -38.98 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -137.95 146.19 42.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 63' ' ' ALA . 24.6 m0 -124.01 148.57 46.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -89.86 118.0 29.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.765 HG21 ' CE ' ' A' ' 25' ' ' MET . 21.4 m -122.69 159.35 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.35 111.89 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 31' ' ' LEU . 20.3 m -99.16 170.24 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -112.52 147.85 35.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.33 45.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 m -137.19 118.24 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.16 153.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 54.58 32.28 16.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.89 19.51 71.66 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -130.75 156.88 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 126.91 54.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -136.56 135.16 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.55 141.3 28.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -128.8 143.77 51.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -97.47 138.6 34.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' HG13 ' A' ' 23' ' ' VAL . . . -150.72 -175.63 22.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -117.26 138.17 51.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 ' HE3' ' A' ' 25' ' ' MET . 30.4 m -129.98 152.89 80.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG2' ' HB2' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.83 121.5 8.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.27 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.55 -13.86 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -21.87 50.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' HB2' ' HG2' ' A' ' 62' ' ' PRO . 10.7 m-85 -103.68 -24.98 13.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -114.51 154.99 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -146.25 129.31 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HA ' HG12 ' A' ' 9' ' ' VAL . 3.4 ptmm? -68.3 147.01 52.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.8 mm? -104.06 49.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.826 . . . . . . . . 0 0 . 1 stop_ save_